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

Systemtic Name: methyl 3-[3-(1H-indol-3-yl)propanoylamino]-2-methyl-benzoate Openeye Name: methyl 3-[3-(1H-indol-3-yl)propanoylamino]-2-methyl-benzoate CAS Name: 3-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1H-indol-3-yl)propanoylamino]-2-methylbenzoate Traditional Name: 3-[3-(1H-indol-3-yl)propanoylamino]-2-methyl-benzoic acid methyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H20N2O3/c1-13-15(20(24)25-2)7-5-9-17(13)22-19(23)11-10-14-12-21-18-8-4-3-6-16(14)18/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)