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

Systemtic Name: (1R,6R)-6-[[4-methyl-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[(2-benzoyl-4-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[(2-benzoyl-4-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[(2-benzoyl-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[(2-benzoyl-4-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H20NO4- MolecularWeight: 362.3985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CC=CCC2C(=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4/c1-14-11-12-19(18(13-14)20(24)15-7-3-2-4-8-15)23-21(25)16-9-5-6-10-17(16)22(26)27/h2-8,11-13,16-17H,9-10H2,1H3,(H,23,25)(H,26,27)/p-1/t16-,17-/m1/s1