[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H22ClNO3/c1-13(18(23)22-17-7-5-6-16(21)12-17)25-19(24)14-8-10-15(11-9-14)20(2,3)4/h5-13H,1-4H3,(H,22,23)