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

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32)OC

InChI

InChI=1S/C21H22N2O5/c1-26-16-9-15(10-17(11-16)27-2)21(25)28-13-20(24)22-8-7-14-12-23-19-6-4-3-5-18(14)19/h3-6,9-12,23H,7-8,13H2,1-2H3,(H,22,24)