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

Systemtic Name: 1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(4-methoxyphenyl)methyl]isonipecotic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H24N2O3/c1-28-21-6-4-16(5-7-21)22(25-12-9-17(10-13-25)23(26)27)19-2-3-20-15-24-11-8-18(20)14-19/h2-8,11,14-15,17,22H,9-10,12-13H2,1H3,(H,26,27)