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Ethyl 2-(4-methoxyphenyl)-4-(3,4-methylenedioxy)phenyl)-1-[(1S)-1-phenylethyl]-1H-pyrrole-3-carboxylate

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Ethyl 2-(4-methoxyphenyl)-4-(3,4-methylenedioxy)phenyl)-1-[(1S)-1-phenylethyl]-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 4TIDeYQAE2y
InChI InChI=1S/C29H27NO5/c1-4-33-29(31)27-24(22-12-15-25-26(16-22)35-18-34-25)17-30(19(2)20-8-6-5-7-9-20)28(27)21-10-13-23(32-3)14-11-21/h5-17,19H,4,18H2,1-3H3/t19-/m0/s1
InChIKey QJVZLFVJPIHSNR-IBGZPJMESA-N
Mol Weight 469.54 g/mol
Molecular Formula C29H27NO5
Exact Mass 469.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYC2yp72dpx
Name Ethyl 2-(4-methoxyphenyl)-4-(3,4-methylenedioxy)phenyl)-1-[(1S)-1-phenylethyl]-1H-pyrrole-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.188922968 u
Formula C29H27NO5
InChI InChI=1S/C29H27NO5/c1-4-33-29(31)27-24(22-12-15-25-26(16-22)35-18-34-25)17-30(19(2)20-8-6-5-7-9-20)28(27)21-10-13-23(32-3)14-11-21/h5-17,19H,4,18H2,1-3H3/t19-/m0/s1
InChIKey QJVZLFVJPIHSNR-IBGZPJMESA-N
Molecular Weight 469.537 g/mol
SMILES C1(=C(N([C@](C2=CC=CC=C2)(C)[H])C=C1C1=CC=2OCOC2C=C1)C1=CC=C(C=C1)OC)C(=O)OCC