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

Systemtic Name: 2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[(4-piperidinopiperidino)methyl]cinchoninic acid Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H31N3O2/c31-27(32)25-22-11-5-6-12-24(22)28-26(20-9-3-1-4-10-20)23(25)19-29-17-13-21(14-18-29)30-15-7-2-8-16-30/h1,3-6,9-12,21H,2,7-8,13-19H2,(H,31,32)