3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(1-methyl-4-piperidyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(1-methyl-4-piperidinyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(1-methyl-4-piperidyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H32N4O2/c1-29-13-11-21(12-14-29)31-17-15-30(16-18-31)19-23-25(27(32)33)22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,21H,11-19H2,1H3,(H,32,33)