(1R,6R)-6-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[2-(3-chlorophenyl)ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H17ClNO3- MolecularWeight: 306.76408

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCCC2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C(=O)NCCC2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H18ClNO3/c17-12-5-3-4-11(10-12)8-9-18-15(19)13-6-1-2-7-14(13)16(20)21/h1-5,10,13-14H,6-9H2,(H,18,19)(H,20,21)/p-1/t13-,14-/m1/s1