[2-(2,5-dimethyl-1-phenylmethoxy-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-phenylmethoxy-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(1-benzyloxy-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(2,5-dimethyl-1-phenylmethoxy-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylmethoxypyrrol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-(1-benzoxy-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C31H25ClN2O4 MolecularWeight: 524.9942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1OCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=C(N1OCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H25ClN2O4/c1-20-16-26(21(2)34(20)38-18-22-8-4-3-5-9-22)30(35)19-37-31(36)27-17-29(23-12-14-24(32)15-13-23)33-28-11-7-6-10-25(27)28/h3-17H,18-19H2,1-2H3