1-[isoquinolin-6-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(2-methoxyphenyl)methyl]isonipecotic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

InChI

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