1-[isoquinolin-6-yl-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(4-phenylphenyl)methyl]nipecotic acid Formula: C28H26N2O2 MolecularWeight: 422.51824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5)C(=O)O

InChI

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