[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-prop-2-enoxy-benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OCC=C

InChI

InChI=1S/C22H22N2O5/c1-3-14-28-19-11-10-17(15-20(19)27-2)22(26)29-16-21(25)24(13-7-12-23)18-8-5-4-6-9-18/h3-6,8-11,15H,1,7,13-14,16H2,2H3