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

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

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O

InChI

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