[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H21ClN2O3 MolecularWeight: 432.89884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21ClN2O3/c1-16-13-20(17(2)28(16)14-19-8-3-5-9-21(19)26)24(29)15-31-25(30)23-12-11-18-7-4-6-10-22(18)27-23/h3-13H,14-15H2,1-2H3