[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)CNC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)CNC(=O)C

InChI

InChI=1S/C21H21NO4/c1-15-4-3-5-17(12-15)8-11-21(25)26-14-20(24)19-9-6-18(7-10-19)13-22-16(2)23/h3-12H,13-14H2,1-2H3,(H,22,23)/b11-8+