[2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-[1-(3-methoxy-3-oxo-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-keto-2-[1-(3-keto-3-methoxy-propyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H22N2O6/c1-13-10-16(14(2)24(13)9-8-21(27)29-3)20(26)12-30-22(28)18-11-19(25)15-6-4-5-7-17(15)23-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,25)