3-[4-[2-(4-benzamidophenyl)butanoyloxy]phenyl]sulfanyl-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-[2-(4-benzamidophenyl)butanoyloxy]phenyl]sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-[2-(4-benzamidophenyl)butanoyloxy]phenyl]sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[[4-[2-(4-benzamidophenyl)-1-oxobutoxy]phenyl]thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-[2-(4-benzamidophenyl)butanoyloxy]phenyl]sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[[4-[2-(4-benzamidophenyl)butanoyloxy]phenyl]thio]-2,2-dimethyl-propionic acid Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)SCC(C)(C)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)SCC(C)(C)C(=O)O

InChI

InChI=1S/C28H29NO5S/c1-4-24(19-10-12-21(13-11-19)29-25(30)20-8-6-5-7-9-20)26(31)34-22-14-16-23(17-15-22)35-18-28(2,3)27(32)33/h5-17,24H,4,18H2,1-3H3,(H,29,30)(H,32,33)