Ethyl 2-bromo-3-[4-[2-[N-(2R/S)-(6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl)-(2S)-pyrrolidine-2-methoxy]phenyl]propanoate

SpectraBase Compound ID	Iinp01U5D7w
InChI	InChI=1S/C37H46BrNO5/c1-6-41-36(40)33(38)21-28-14-16-31(17-15-28)42-23-30-13-10-20-39(30)24-37(5)19-18-32-27(4)34(25(2)26(3)35(32)44-37)43-22-29-11-8-7-9-12-29/h7-9,11-12,14-17,30,33H,6,10,13,18-24H2,1-5H3/t30-,33?,37?/m0/s1
InChIKey	JPNKLAROTTUHIH-HLVKXNDVSA-N Google Search
Mol Weight	664.7 g/mol
Molecular Formula	C37H46BrNO5
Exact Mass	663.255937 g/mol

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SpectraBase Spectrum ID	7Irekgmu4XE
Name	Ethyl 2-bromo-3-[4-[2-[N-(2R/S)-(6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl)-(2S)-pyrrolidine-2-methoxy]phenyl]propanoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C37H46BrNO5
InChI	InChI=1S/C37H46BrNO5/c1-6-41-36(40)33(38)21-28-14-16-31(17-15-28)42-23-30-13-10-20-39(30)24-37(5)19-18-32-27(4)34(25(2)26(3)35(32)44-37)43-22-29-11-8-7-9-12-29/h7-9,11-12,14-17,30,33H,6,10,13,18-24H2,1-5H3/t30-,33?,37?/m0/s1
InChIKey	JPNKLAROTTUHIH-HLVKXNDVSA-N
Molecular Weight	664.681 g/mol
SMILES	c12c(c(C)c(c(c2C)C)OCc2ccccc2)CCC(O1)(CN1[C@](COc2ccc(CC(C(=O)OCC)Br)cc2)(CCC1)[H])C
SPLASH	splash10-0006-0090000000-f7fa3d707e9dcf6b2a0f
Source of Spectrum	F2-42-3276-0
Synonyms	2-bromo-3-[4-[[(2S)-1-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-2-pyrrolidinyl]methoxy]phenyl]propanoic acid ethyl ester ethyl 2-bromo-3-[4-[[(2S)-1-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]propanoate ethyl 3-[4-[[(2S)-1-[(6-benzyloxy-2,5,7,8-tetramethyl-chroman-2-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]-2-bromo-propanoate ethyl 2-bromanyl-3-[4-[[(2S)-1-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]propanoate
Wiley ID	1600264