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

Systemtic Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C27H25FN2O3 MolecularWeight: 444.497403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C27H25FN2O3/c1-5-23-17(3)26(21-8-6-7-9-24(21)29-23)27(32)33-15-25(31)22-14-16(2)30(18(22)4)20-12-10-19(28)11-13-20/h6-14H,5,15H2,1-4H3