(1R,6S)-6-[(5-acetamido-2-methoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(5-acetamido-2-methoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(5-acetamido-2-methoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(5-acetamido-2-methoxyanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(5-acetamido-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(5-acetamido-2-methoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H19N2O5- MolecularWeight: 331.34316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C17H20N2O5/c1-10(20)18-11-7-8-15(24-2)14(9-11)19-16(21)12-5-3-4-6-13(12)17(22)23/h3-4,7-9,12-13H,5-6H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/p-1/t12-,13+/m0/s1