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

Systemtic Name: 1-[isoquinolin-6-yl-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(3-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(3-methoxyphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O

InChI

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