[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C22H22N2O3/c1-17-9-11-19(12-10-17)14-20(15-23)22(26)27-16-21(25)24-13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,14H,5,8,13,16H2,1H3,(H,24,25)/b20-14+