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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5

InChI

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