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

Systemtic Name: 2-phenyl-3-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-[3-[4-(1-piperidyl)-1-piperidyl]propyl]quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[3-[4-(1-piperidinyl)-1-piperidinyl]propyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[3-(4-piperidinopiperidino)propyl]cinchoninic acid Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CCCC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CCCC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H35N3O2/c33-29(34)27-24-12-5-6-14-26(24)30-28(22-10-3-1-4-11-22)25(27)13-9-17-31-20-15-23(16-21-31)32-18-7-2-8-19-32/h1,3-6,10-12,14,23H,2,7-9,13,15-21H2,(H,33,34)