2-[[2-[2-(4-thiophen-2-ylcarbonylphenyl)propanoylamino]phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-[2-(4-thiophen-2-ylcarbonylphenyl)propanoylamino]phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[2-[4-(thiophene-2-carbonyl)phenyl]propanoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[2-[4-(thiophene-2-carbonyl)phenyl]propanoylamino]phenyl]methyl]benzoic acid Traditional Name: 2-[2-[2-[4-(2-thenoyl)phenyl]propanoylamino]benzyl]benzoic acid Formula: C28H23NO4S MolecularWeight: 469.55152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H23NO4S/c1-18(19-12-14-20(15-13-19)26(30)25-11-6-16-34-25)27(31)29-24-10-5-3-8-22(24)17-21-7-2-4-9-23(21)28(32)33/h2-16,18H,17H2,1H3,(H,29,31)(H,32,33)