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

Systemtic Name: 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-[(4-phenyl-1-piperidyl)methyl]quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[(4-phenyl-1-piperidinyl)methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[(4-phenylpiperidino)methyl]cinchoninic acid Formula: C28H26N2O2 MolecularWeight: 422.51824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H26N2O2/c31-28(32)26-23-13-7-8-14-25(23)29-27(22-11-5-2-6-12-22)24(26)19-30-17-15-21(16-18-30)20-9-3-1-4-10-20/h1-14,21H,15-19H2,(H,31,32)