[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C21H22N2O3/c1-14-9-15(2)11-17(10-14)21(25)26-13-20(24)22-8-7-16-12-23-19-6-4-3-5-18(16)19/h3-6,9-12,23H,7-8,13H2,1-2H3,(H,22,24)