1-[methoxy(phenyl)methyl]-4-oxidanylidene-7-(4-piperidin-4-ylpiperidin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-[methoxy(phenyl)methyl]-4-oxidanylidene-7-(4-piperidin-4-ylpiperidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-[methoxy(phenyl)methyl]-4-oxo-7-[4-(4-piperidyl)-1-piperidyl]quinoline-3-carboxylic acid CAS Name: 1-[methoxy(phenyl)methyl]-4-oxo-7-[4-(4-piperidinyl)-1-piperidinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-[methoxy(phenyl)methyl]-4-oxo-7-(4-piperidin-4-ylpiperidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 4-keto-1-[methoxy(phenyl)methyl]-7-[4-(4-piperidyl)piperidino]quinoline-3-carboxylic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)N2C=C(C(=O)C3=C2C=C(C=C3)N4CCC(CC4)C5CCNCC5)C(=O)O

Isomeric SMILES

COC(C1=CC=CC=C1)N2C=C(C(=O)C3=C2C=C(C=C3)N4CCC(CC4)C5CCNCC5)C(=O)O

InChI

InChI=1S/C28H33N3O4/c1-35-27(21-5-3-2-4-6-21)31-18-24(28(33)34)26(32)23-8-7-22(17-25(23)31)30-15-11-20(12-16-30)19-9-13-29-14-10-19/h2-8,17-20,27,29H,9-16H2,1H3,(H,33,34)