3-[[4-(4-oxidanylpiperidin-1-yl)piperidin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(4-oxidanylpiperidin-1-yl)piperidin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(4-hydroxy-1-piperidyl)-1-piperidyl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(4-hydroxy-1-piperidinyl)-1-piperidinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(4-hydroxypiperidino)piperidino]methyl]-2-phenyl-cinchoninic acid Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(CC2)O)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1N2CCC(CC2)O)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H31N3O3/c31-21-12-16-30(17-13-21)20-10-14-29(15-11-20)18-23-25(27(32)33)22-8-4-5-9-24(22)28-26(23)19-6-2-1-3-7-19/h1-9,20-21,31H,10-18H2,(H,32,33)