methyl 2-[[2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-oxidanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-oxidanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-hydroxy-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-hydroxy-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-hydroxy-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C3=CC4=C(C=C3)OCO4)C(CC5CCCCC5)O

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C3=CC4=C(C=C3)OCO4)C(CC5CCCCC5)O

InChI

InChI=1S/C29H34N2O6/c1-35-29(34)23(14-20-16-30-22-10-6-5-9-21(20)22)31-28(33)27(24(32)13-18-7-3-2-4-8-18)19-11-12-25-26(15-19)37-17-36-25/h5-6,9-12,15-16,18,23-24,27,30,32H,2-4,7-8,13-14,17H2,1H3,(H,31,33)