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

Systemtic Name: methyl 2-[[2,3-bis(1,3-benzodioxol-5-yl)-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2,3-bis(1,3-benzodioxol-5-yl)-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2,3-bis(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2,3-bis(1,3-benzodioxol-5-yl)-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2,3-bis(1,3-benzodioxol-5-yl)-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C29H26N2O8 MolecularWeight: 530.52534

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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(C5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C3=CC4=C(C=C3)OCO4)C(C5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C29H26N2O8/c1-35-29(34)21(10-18-13-30-20-5-3-2-4-19(18)20)31-28(33)26(16-6-8-22-24(11-16)38-14-36-22)27(32)17-7-9-23-25(12-17)39-15-37-23/h2-9,11-13,21,26-27,30,32H,10,14-15H2,1H3,(H,31,33)