1-[(6-methoxy-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(6-methoxy-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(6-methoxy-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(6-methoxy-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(6-methoxy-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-keto-6-methoxy-2-methyl-4-phenyl-3-isoquinolyl)methyl]isonipecotic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CN4CCC(CC4)C(=O)O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H26N2O4/c1-25-21(15-26-12-10-17(11-13-26)24(28)29)22(16-6-4-3-5-7-16)20-14-18(30-2)8-9-19(20)23(25)27/h3-9,14,17H,10-13,15H2,1-2H3,(H,28,29)