4-(3-chlorophenyl)-3-[(3R)-3-methylcyclohexyl]carbonyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: 4-(3-chlorophenyl)-3-[(3R)-3-methylcyclohexyl]carbonyl-2-oxidanylidene-but-3-enoic acid Openeye Name: 4-(3-chlorophenyl)-3-[(3R)-3-methylcyclohexanecarbonyl]-2-oxo-but-3-enoic acid CAS Name: 4-(3-chlorophenyl)-3-[[(3R)-3-methylcyclohexyl]-oxomethyl]-2-oxo-3-butenoic acid IUPAC Name: 4-(3-chlorophenyl)-3-[(3R)-3-methylcyclohexanecarbonyl]-2-oxobut-3-enoic acid Traditional Name: 4-(3-chlorophenyl)-2-keto-3-[(3R)-3-methylcyclohexanecarbonyl]but-3-enoic acid Formula: C18H19ClO4 MolecularWeight: 334.79406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)C(=O)C(=CC2=CC(=CC=C2)Cl)C(=O)C(=O)O

Isomeric SMILES

C[C@@H]1CCCC(C1)C(=O)C(=CC2=CC(=CC=C2)Cl)C(=O)C(=O)O

InChI

InChI=1S/C18H19ClO4/c1-11-4-2-6-13(8-11)16(20)15(17(21)18(22)23)10-12-5-3-7-14(19)9-12/h3,5,7,9-11,13H,2,4,6,8H2,1H3,(H,22,23)/t11-,13?/m1/s1