4-(2-carboxyethylsulfanyl)-2-phenoxy-2-[3-(quinolin-2-ylmethoxy)phenyl]butanoic acid

Systemtic Name: 4-(2-carboxyethylsulfanyl)-2-phenoxy-2-[3-(quinolin-2-ylmethoxy)phenyl]butanoic acid Openeye Name: 4-(2-carboxyethylsulfanyl)-2-phenoxy-2-[3-(2-quinolylmethoxy)phenyl]butanoic acid CAS Name: 4-(2-carboxyethylthio)-2-phenoxy-2-[3-(2-quinolinylmethoxy)phenyl]butanoic acid IUPAC Name: 4-(2-carboxyethylsulfanyl)-2-phenoxy-2-[3-(quinolin-2-ylmethoxy)phenyl]butanoic acid Traditional Name: 4-(2-carboxyethylthio)-2-phenoxy-2-[3-(2-quinolylmethoxy)phenyl]butyric acid Formula: C29H27NO6S MolecularWeight: 517.59278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCSCCC(=O)O)(C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CCSCCC(=O)O)(C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C29H27NO6S/c31-27(32)15-17-37-18-16-29(28(33)34,36-24-9-2-1-3-10-24)22-8-6-11-25(19-22)35-20-23-14-13-21-7-4-5-12-26(21)30-23/h1-14,19H,15-18,20H2,(H,31,32)(H,33,34)