[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C23H18ClN3O3 MolecularWeight: 419.86032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H18ClN3O3/c24-18-6-3-7-20(15-18)27(14-4-13-25)22(28)16-30-23(29)12-11-19-10-9-17-5-1-2-8-21(17)26-19/h1-3,5-12,15H,4,14,16H2/b12-11+