methyl 5-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[3-(1H-indol-3-yl)-1-oxopropyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H22N2O4/c1-26-19-9-7-14(11-17(19)21(25)27-2)12-23-20(24)10-8-15-13-22-18-6-4-3-5-16(15)18/h3-7,9,11,13,22H,8,10,12H2,1-2H3,(H,23,24)