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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-(benzylamino)-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-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-16(2)19-10-8-17(9-11-19)12-20(13-23)22(26)27-15-21(25)24-14-18-6-4-3-5-7-18/h3-12,16H,14-15H2,1-2H3,(H,24,25)/b20-12+