6-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamoyl]-5-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: 6-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamoyl]-5-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: 6-[(2-benzoyl-4-chloro-phenyl)carbamoyl]-5-methyl-cyclohex-3-ene-1-carboxylate CAS Name: 6-[(2-benzoyl-4-chloroanilino)-oxomethyl]-5-methyl-1-cyclohex-3-enecarboxylate IUPAC Name: 6-[(2-benzoyl-4-chlorophenyl)carbamoyl]-5-methylcyclohex-3-ene-1-carboxylate Traditional Name: 6-[(2-benzoyl-4-chloro-phenyl)carbamoyl]-5-methyl-cyclohex-3-ene-1-carboxylate Formula: C22H19ClNO4- MolecularWeight: 396.84356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC(C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1C=CCC(C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H20ClNO4/c1-13-6-5-9-16(22(27)28)19(13)21(26)24-18-11-10-15(23)12-17(18)20(25)14-7-3-2-4-8-14/h2-8,10-13,16,19H,9H2,1H3,(H,24,26)(H,27,28)/p-1