2-(4-cyclohexyloxy-3-isoquinolin-6-yl-phenyl)propanoic acid

Systemtic Name: 2-(4-cyclohexyloxy-3-isoquinolin-6-yl-phenyl)propanoic acid Openeye Name: 2-[4-(cyclohexoxy)-3-(6-isoquinolyl)phenyl]propanoic acid CAS Name: 2-[4-cyclohexyloxy-3-(6-isoquinolinyl)phenyl]propanoic acid IUPAC Name: 2-(4-cyclohexyloxy-3-isoquinolin-6-ylphenyl)propanoic acid Traditional Name: 2-[4-(cyclohexoxy)-3-(6-isoquinolyl)phenyl]propionic acid Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC2CCCCC2)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC2CCCCC2)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

InChI

InChI=1S/C24H25NO3/c1-16(24(26)27)17-9-10-23(28-21-5-3-2-4-6-21)22(14-17)19-7-8-20-15-25-12-11-18(20)13-19/h7-16,21H,2-6H2,1H3,(H,26,27)