[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@@H]2CCCN2C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H24N2O5/c1-29-17-10-12-22(30-2)18(14-17)21-8-5-13-26(21)23(27)15-31-24(28)20-11-9-16-6-3-4-7-19(16)25-20/h3-4,6-7,9-12,14,21H,5,8,13,15H2,1-2H3/t21-/m0/s1