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

Systemtic Name: (1R,6S)-6-[(3-methoxycarbonyl-2-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(3-methoxycarbonyl-2-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(3-methoxycarbonyl-2-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3-carbomethoxy-2-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H18NO5- MolecularWeight: 316.32852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CC=CCC2C(=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C(=O)OC

InChI

InChI=1S/C17H19NO5/c1-10-11(17(22)23-2)8-5-9-14(10)18-15(19)12-6-3-4-7-13(12)16(20)21/h3-5,8-9,12-13H,6-7H2,1-2H3,(H,18,19)(H,20,21)/p-1/t12-,13+/m0/s1