2-isoquinolin-3-yl-4-[(4-oxidanylidenecyclohexyl)methylamino]benzoic acid

Systemtic Name: 2-isoquinolin-3-yl-4-[(4-oxidanylidenecyclohexyl)methylamino]benzoic acid Openeye Name: 2-(3-isoquinolyl)-4-[(4-oxocyclohexyl)methylamino]benzoic acid CAS Name: 2-(3-isoquinolinyl)-4-[(4-oxocyclohexyl)methylamino]benzoic acid IUPAC Name: 2-isoquinolin-3-yl-4-[(4-oxocyclohexyl)methylamino]benzoic acid Traditional Name: 2-(3-isoquinolyl)-4-[(4-ketocyclohexyl)methylamino]benzoic acid Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1CNC2=CC(=C(C=C2)C(=O)O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1CC(=O)CCC1CNC2=CC(=C(C=C2)C(=O)O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C23H22N2O3/c26-19-8-5-15(6-9-19)13-24-18-7-10-20(23(27)28)21(12-18)22-11-16-3-1-2-4-17(16)14-25-22/h1-4,7,10-12,14-15,24H,5-6,8-9,13H2,(H,27,28)