1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(4-methoxyphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3/c1-28-20-9-7-16(8-10-20)22(25-13-3-2-4-21(25)23(26)27)18-5-6-19-15-24-12-11-17(19)14-18/h5-12,14-15,21-22H,2-4,13H2,1H3,(H,26,27)