2-[Benzyl-(7-benzyloxy-hept-5-ynyl)-carbamoyl]-5,6,7-trimethoxy-indole-1-carboxylic acidtert-butyl ester

SpectraBase Compound ID	EW7kJaVXtWE
InChI	InChI=1S/C38H44N2O7/c1-38(2,3)47-37(42)40-31(24-30-25-32(43-4)34(44-5)35(45-6)33(30)40)36(41)39(26-28-18-12-10-13-19-28)22-16-8-7-9-17-23-46-27-29-20-14-11-15-21-29/h10-15,18-21,24-25H,7-8,16,22-23,26-27H2,1-6H3
InChIKey	DBIVTUAJJDKWNA-UHFFFAOYSA-N Google Search
Mol Weight	640.8 g/mol
Molecular Formula	C38H44N2O7
Exact Mass	640.314852 g/mol

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SpectraBase Spectrum ID	LRj9OZW123q
Name	2-[Benzyl-(7-benzyloxy-hept-5-ynyl)-carbamoyl]-5,6,7-trimethoxy-indole-1-carboxylic acidtert-butyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	640.314851758 u
Formula	C38H44N2O7
InChI	InChI=1S/C38H44N2O7/c1-38(2,3)47-37(42)40-31(24-30-25-32(43-4)34(44-5)35(45-6)33(30)40)36(41)39(26-28-18-12-10-13-19-28)22-16-8-7-9-17-23-46-27-29-20-14-11-15-21-29/h10-15,18-21,24-25H,7-8,16,22-23,26-27H2,1-6H3
InChIKey	DBIVTUAJJDKWNA-UHFFFAOYSA-N
Molecular Weight	640.777 g/mol
SMILES	C=12N(C(=CC1C=C(C(=C2OC)OC)OC)C(N(CCCCC#CCOCC=1C=CC=CC1)CC=1C=CC=CC1)=O)C(=O)OC(C)(C)C