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

Systemtic Name: (1S,6S)-6-[(2-ethyl-6-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(2-ethyl-6-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(2-ethyl-6-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(2-ethyl-6-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(2-ethyl-6-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H20NO3- MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CC=CCC2C(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])C

InChI

InChI=1S/C17H21NO3/c1-3-12-8-6-7-11(2)15(12)18-16(19)13-9-4-5-10-14(13)17(20)21/h4-8,13-14H,3,9-10H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-,14-/m0/s1