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

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-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=C(C=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)OC

InChI

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