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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1CCC(CC1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C24H25NO3/c26-24(27)11-7-17-6-10-23(28-21-4-2-1-3-5-21)22(14-17)19-8-9-20-16-25-13-12-18(20)15-19/h6,8-10,12-16,21H,1-5,7,11H2,(H,26,27)