[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H21ClN2O3/c24-17-5-3-4-15(12-17)10-11-25-22(27)14-29-23(28)19-13-21(16-8-9-16)26-20-7-2-1-6-18(19)20/h1-7,12-13,16H,8-11,14H2,(H,25,27)