3-[2-[3-(carboxymethyloxy)phenyl]ethylsulfanyl]-3-phenyl-3-(quinolin-2-ylmethoxy)propanoic acid

Systemtic Name: 3-[2-[3-(carboxymethyloxy)phenyl]ethylsulfanyl]-3-phenyl-3-(quinolin-2-ylmethoxy)propanoic acid Openeye Name: 3-[2-[3-(carboxymethyloxy)phenyl]ethylsulfanyl]-3-phenyl-3-(2-quinolylmethoxy)propanoic acid CAS Name: 3-[2-[3-(carboxymethyloxy)phenyl]ethylthio]-3-phenyl-3-(2-quinolinylmethoxy)propanoic acid IUPAC Name: 3-[2-[3-(carboxymethyloxy)phenyl]ethylsulfanyl]-3-phenyl-3-(quinolin-2-ylmethoxy)propanoic acid Traditional Name: 3-[2-[3-(carboxymethyloxy)phenyl]ethylthio]-3-phenyl-3-(2-quinolylmethoxy)propionic acid Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)(OCC2=NC3=CC=CC=C3C=C2)SCCC4=CC(=CC=C4)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)(OCC2=NC3=CC=CC=C3C=C2)SCCC4=CC(=CC=C4)OCC(=O)O

InChI

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