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

Systemtic Name: 1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(4-methoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H24N2O3/c1-28-21-8-6-16(7-9-21)22(25-12-2-3-20(15-25)23(26)27)18-4-5-19-14-24-11-10-17(19)13-18/h4-11,13-14,20,22H,2-3,12,15H2,1H3,(H,26,27)