[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-quinolin-2-ylpropanoate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-quinolin-2-ylpropanoate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19ClN2O3/c1-14(21(26)24-18-10-7-16(22)8-11-18)27-20(25)13-12-17-9-6-15-4-2-3-5-19(15)23-17/h2-11,14H,12-13H2,1H3,(H,24,26)