[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 4-chloranylbenzoate

Systemtic Name: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 4-chloranylbenzoate Openeye Name: [4-(2,6-dimethylanilino)-4-oxo-butyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-(2,6-dimethylanilino)-4-oxobutyl] ester IUPAC Name: [4-(2,6-dimethylanilino)-4-oxobutyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-(2,6-dimethylanilino)-4-keto-butyl] ester Formula: C19H20ClNO3 MolecularWeight: 345.82

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO3/c1-13-5-3-6-14(2)18(13)21-17(22)7-4-12-24-19(23)15-8-10-16(20)11-9-15/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,21,22)