methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-phenyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-phenyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-phenyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxo-3-phenylbutyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-phenylbutanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-phenyl-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC)O

InChI

InChI=1S/C29H28N2O6/c1-29(34,20-8-4-3-5-9-20)26(18-12-13-24-25(15-18)37-17-36-24)27(32)31-23(28(33)35-2)14-19-16-30-22-11-7-6-10-21(19)22/h3-13,15-16,23,26,30,34H,14,17H2,1-2H3,(H,31,32)