2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one; 2-(4-thiophen-2-ylcarbonylphenyl)propanoic acid

Systemtic Name: 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one; 2-(4-thiophen-2-ylcarbonylphenyl)propanoic acid Openeye Name: 2-(2-chlorophenyl)-2-(methylamino)cyclohexanone; 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid CAS Name: 2-(2-chlorophenyl)-2-(methylamino)-1-cyclohexanone; 2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propanoic acid IUPAC Name: 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one; 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid Traditional Name: 2-(2-chlorophenyl)-2-(methylamino)cyclohexanone; 2-[4-(2-thenoyl)phenyl]propionic acid Formula: C27H28ClNO4S MolecularWeight: 498.03352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O.CNC1(CCCCC1=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O.CNC1(CCCCC1=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H12O3S.C13H16ClNO/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12;1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-9H,1H3,(H,16,17);2-3,6-7,15H,4-5,8-9H2,1H3