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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-pyridin-2-yl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(2-pyridyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxo-3-(2-pyridinyl)propyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-pyridin-2-ylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(2-pyridyl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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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=CC=CC=N5)O

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C3=CC4=C(C=C3)OCO4)C(C5=CC=CC=N5)O

InChI

InChI=1S/C27H25N3O6/c1-34-27(33)21(12-17-14-29-19-7-3-2-6-18(17)19)30-26(32)24(25(31)20-8-4-5-11-28-20)16-9-10-22-23(13-16)36-15-35-22/h2-11,13-14,21,24-25,29,31H,12,15H2,1H3,(H,30,32)