(1S,6R)-3,4-dimethyl-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-3,4-dimethyl-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-3,4-dimethyl-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-3,4-dimethyl-6-[oxo-(4-phenylbutylamino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-3,4-dimethyl-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-3,4-dimethyl-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCCCCC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NCCCCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C20H27NO3/c1-14-12-17(18(20(23)24)13-15(14)2)19(22)21-11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,17-18H,6-7,10-13H2,1-2H3,(H,21,22)(H,23,24)/t17-,18+/m1/s1