[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H21ClN2O3/c1-13-4-9-20-18(10-13)19(11-14(2)25-20)22(27)28-15(3)21(26)24-12-16-5-7-17(23)8-6-16/h4-11,15H,12H2,1-3H3,(H,24,26)