[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C

InChI

InChI=1S/C19H18N2O3/c1-13-3-8-17(14(2)11-13)19(23)24-12-18(22)21-16-6-4-15(5-7-16)9-10-20/h3-8,11H,9,12H2,1-2H3,(H,21,22)