(1R,6S)-6-[(4-acetamidophenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(4-acetamidophenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(4-acetamidophenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(4-acetamidoanilino)-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(4-acetamidophenyl)carbamoyl]-4-methylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(4-acetamidophenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylate Formula: C17H19N2O4- MolecularWeight: 315.34376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)NC2=CC=C(C=C2)NC(=O)C)C(=O)[O-]

Isomeric SMILES

CC1=CC[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)NC(=O)C)C(=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-10-3-8-14(17(22)23)15(9-10)16(21)19-13-6-4-12(5-7-13)18-11(2)20/h3-7,14-15H,8-9H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/p-1/t14-,15+/m1/s1