[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5/c1-3-29-22-13-16(9-10-21(22)28-2)23(27)30-15-20(26)18-14-25(12-6-11-24)19-8-5-4-7-17(18)19/h4-5,7-10,13-14H,3,6,12,15H2,1-2H3