4-[[[4-[4-(4-ethanoylphenyl)phenyl]thiophen-2-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[4-[4-(4-ethanoylphenyl)phenyl]thiophen-2-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[4-[4-(4-acetylphenyl)phenyl]thiophene-2-carbonyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[4-[4-(4-acetylphenyl)phenyl]-2-thiophenyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[4-[4-(4-acetylphenyl)phenyl]thiophene-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[4-[4-(4-acetylphenyl)phenyl]thiophene-2-carbonyl]amino]methyl]cyclohexanecarboxylic acid Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=C3)C(=O)NCC4CCC(CC4)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=C3)C(=O)NCC4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H27NO4S/c1-17(29)19-6-8-20(9-7-19)21-10-12-22(13-11-21)24-14-25(33-16-24)26(30)28-15-18-2-4-23(5-3-18)27(31)32/h6-14,16,18,23H,2-5,15H2,1H3,(H,28,30)(H,31,32)