[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-15(2)18-8-6-16(7-9-18)10-19(12-24)22(27)28-14-21(26)25-13-17-4-3-5-20(23)11-17/h3-11,15H,13-14H2,1-2H3,(H,25,26)/b19-10+