3-[[4-(2-oxidanylidene-1,6-dihydropyrimidin-3-yl)piperidin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(2-oxidanylidene-1,6-dihydropyrimidin-3-yl)piperidin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(2-oxo-1,6-dihydropyrimidin-3-yl)-1-piperidyl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(2-oxo-1,6-dihydropyrimidin-3-yl)-1-piperidinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2-oxo-1,6-dihydropyrimidin-3-yl)piperidin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(2-keto-1,6-dihydropyrimidin-3-yl)piperidino]methyl]-2-phenyl-cinchoninic acid Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=CCNC2=O)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C=CCNC2=O)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H26N4O3/c31-25(32)23-20-9-4-5-10-22(20)28-24(18-7-2-1-3-8-18)21(23)17-29-15-11-19(12-16-29)30-14-6-13-27-26(30)33/h1-10,14,19H,11-13,15-17H2,(H,27,33)(H,31,32)