(1S,6S)-6-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO3/c17-12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h1-2,5-8,13-14H,3-4,9-10H2,(H,18,19)(H,20,21)/t13-,14-/m0/s1