[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C18H18ClNO3/c1-12-6-7-15(8-13(12)2)18(22)23-11-17(21)20-10-14-4-3-5-16(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,21)