methyl 4-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-4-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzoate CAS Name: 2-hydroxy-4-[[[3-(1H-indol-3-yl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzoate Traditional Name: 2-hydroxy-4-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CNC(=O)CCC2=CNC3=CC=CC=C32)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CNC(=O)CCC2=CNC3=CC=CC=C32)O

InChI

InChI=1S/C20H20N2O4/c1-26-20(25)16-8-6-13(10-18(16)23)11-22-19(24)9-7-14-12-21-17-5-3-2-4-15(14)17/h2-6,8,10,12,21,23H,7,9,11H2,1H3,(H,22,24)