1-[isoquinolin-6-yl-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(2-methoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

InChI

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