4-[2-[(2,3-dimethylphenyl)carbonyl-[1-[4-(2-methylpropyl)phenyl]ethoxy]amino]phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-[(2,3-dimethylphenyl)carbonyl-[1-[4-(2-methylpropyl)phenyl]ethoxy]amino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-[(2,3-dimethylbenzoyl)-[1-(4-isobutylphenyl)ethoxy]amino]phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[(2,3-dimethylphenyl)-oxomethyl]-[1-[4-(2-methylpropyl)phenyl]ethoxy]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-[(2,3-dimethylbenzoyl)-[1-[4-(2-methylpropyl)phenyl]ethoxy]amino]phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[(2,3-dimethylbenzoyl)-[1-(4-isobutylphenyl)ethoxy]amino]phenyl]thio]butyric acid Formula: C31H37NO4S MolecularWeight: 519.69478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)N(C2=CC=CC=C2SCCCC(=O)O)OC(C)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N(C2=CC=CC=C2SCCCC(=O)O)OC(C)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C31H37NO4S/c1-21(2)20-25-15-17-26(18-16-25)24(5)36-32(31(35)27-11-8-10-22(3)23(27)4)28-12-6-7-13-29(28)37-19-9-14-30(33)34/h6-8,10-13,15-18,21,24H,9,14,19-20H2,1-5H3,(H,33,34)