[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 4-ethoxybenzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C22H20N2O4/c1-2-27-17-10-8-16(9-11-17)22(26)28-15-21(25)19-14-24(13-5-12-23)20-7-4-3-6-18(19)20/h3-4,6-11,14H,2,5,13,15H2,1H3