3-[4-(cyclohexylmethoxy)-3-(2-methylquinolin-6-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(cyclohexylmethoxy)-3-(2-methylquinolin-6-yl)phenyl]propanoic acid Openeye Name: 3-[4-(cyclohexylmethoxy)-3-(2-methyl-6-quinolyl)phenyl]propanoic acid CAS Name: 3-[4-(cyclohexylmethoxy)-3-(2-methyl-6-quinolinyl)phenyl]propanoic acid IUPAC Name: 3-[4-(cyclohexylmethoxy)-3-(2-methylquinolin-6-yl)phenyl]propanoic acid Traditional Name: 3-[4-(cyclohexylmethoxy)-3-(2-methyl-6-quinolyl)phenyl]propionic acid Formula: C26H29NO3 MolecularWeight: 403.51336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCCC4

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCCC4

InChI

InChI=1S/C26H29NO3/c1-18-7-10-22-16-21(11-12-24(22)27-18)23-15-19(9-14-26(28)29)8-13-25(23)30-17-20-5-3-2-4-6-20/h7-8,10-13,15-16,20H,2-6,9,14,17H2,1H3,(H,28,29)