(1S,6S)-6-[(5-methoxycarbonyl-2-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(5-methoxycarbonyl-2-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(5-methoxycarbonyl-2-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(5-methoxycarbonyl-2-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(5-carbomethoxy-2-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H18NO5- MolecularWeight: 316.32852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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