3-methyl-3-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanyl-butanoic acid

Systemtic Name: 3-methyl-3-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanyl-butanoic acid Openeye Name: 3-methyl-3-[4-phenyl-1-[4-(2-quinolylmethoxy)phenyl]butyl]sulfanyl-butanoic acid CAS Name: 3-methyl-3-[[4-phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl]thio]butanoic acid IUPAC Name: 3-methyl-3-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylbutanoic acid Traditional Name: 3-methyl-3-[[4-phenyl-1-[4-(2-quinolylmethoxy)phenyl]butyl]thio]butyric acid Formula: C31H33NO3S MolecularWeight: 499.66362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)SC(CCCC1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(CC(=O)O)SC(CCCC1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H33NO3S/c1-31(2,21-30(33)34)36-29(14-8-11-23-9-4-3-5-10-23)25-16-19-27(20-17-25)35-22-26-18-15-24-12-6-7-13-28(24)32-26/h3-7,9-10,12-13,15-20,29H,8,11,14,21-22H2,1-2H3,(H,33,34)