[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H23NO3/c1-14-6-9-18(10-7-14)11-12-20(23)25-17(4)21(24)22-19-13-15(2)5-8-16(19)3/h5-13,17H,1-4H3,(H,22,24)/b12-11+