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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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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(C5CCCCC5)O

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C3=CC4=C(C=C3)OCO4)C(C5CCCCC5)O

InChI

InChI=1S/C28H32N2O6/c1-34-28(33)22(13-19-15-29-21-10-6-5-9-20(19)21)30-27(32)25(26(31)17-7-3-2-4-8-17)18-11-12-23-24(14-18)36-16-35-23/h5-6,9-12,14-15,17,22,25-26,29,31H,2-4,7-8,13,16H2,1H3,(H,30,32)