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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxypentanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O

Isomeric SMILES

CCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O

InChI

InChI=1S/C24H26N2O6/c1-3-19(27)22(14-8-9-20-21(11-14)32-13-31-20)23(28)26-18(24(29)30-2)10-15-12-25-17-7-5-4-6-16(15)17/h4-9,11-12,18-19,22,25,27H,3,10,13H2,1-2H3,(H,26,28)