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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C21H22N2O3/c1-4-11-23-14(2)12-17(15(23)3)20(24)13-26-21(25)19-10-9-16-7-5-6-8-18(16)22-19/h5-10,12H,4,11,13H2,1-3H3