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

Systemtic Name: 1-[isoquinolin-6-yl-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(3-methoxyphenyl)methyl]nipecotic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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