1-[(5-chloranyl-2-methoxy-phenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(6-isoquinolyl)methyl]isonipecotic acid Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H23ClN2O3/c1-29-21-5-4-19(24)13-20(21)22(26-10-7-15(8-11-26)23(27)28)17-2-3-18-14-25-9-6-16(18)12-17/h2-6,9,12-15,22H,7-8,10-11H2,1H3,(H,27,28)