[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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