1-[(5-chloranyl-2-methoxy-phenyl)-isoquinolin-6-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-isoquinolin-6-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(6-isoquinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(6-isoquinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-isoquinolin-6-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(6-isoquinolyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H23ClN2O3/c1-29-21-7-6-19(24)12-20(21)22(26-10-2-3-18(14-26)23(27)28)16-4-5-17-13-25-9-8-15(17)11-16/h4-9,11-13,18,22H,2-3,10,14H2,1H3,(H,27,28)