[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2,3-dimethoxybenzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2,3-dimethoxybenzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C22H20N2O5/c1-27-20-10-5-8-16(21(20)28-2)22(26)29-14-19(25)17-13-24(12-6-11-23)18-9-4-3-7-15(17)18/h3-5,7-10,13H,6,12,14H2,1-2H3