2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid Openeye Name: 2-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methyl]sulfanylacetic acid CAS Name: 2-[[cyclohexyl-[4-(2-quinolinylmethoxy)phenyl]methyl]thio]acetic acid IUPAC Name: 2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylacetic acid Traditional Name: 2-[[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methyl]thio]acetic acid Formula: C25H27NO3S MolecularWeight: 421.55178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O

InChI

InChI=1S/C25H27NO3S/c27-24(28)17-30-25(19-7-2-1-3-8-19)20-11-14-22(15-12-20)29-16-21-13-10-18-6-4-5-9-23(18)26-21/h4-6,9-15,19,25H,1-3,7-8,16-17H2,(H,27,28)