[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-14(2)10-15-6-8-17(9-7-15)20(24)25-13-19(23)22-18-5-3-4-16(11-18)12-21/h3-9,11,14H,10,13H2,1-2H3,(H,22,23)