1-[(4-dimethylaminophenyl)-isoquinolin-6-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-isoquinolin-6-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(6-isoquinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(6-isoquinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-isoquinolin-6-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(6-isoquinolyl)methyl]nipecotic acid Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C24H27N3O2/c1-26(2)22-9-7-17(8-10-22)23(27-13-3-4-21(16-27)24(28)29)19-5-6-20-15-25-12-11-18(20)14-19/h5-12,14-15,21,23H,3-4,13,16H2,1-2H3,(H,28,29)