(1S,6R)-6-[(2,4,6-trimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[(2,4,6-trimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(2,4,6-trimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[oxo-(2,4,6-trimethylanilino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(2,4,6-trimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(mesitylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2CC=CCC2C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C

InChI

InChI=1S/C17H21NO3/c1-10-8-11(2)15(12(3)9-10)18-16(19)13-6-4-5-7-14(13)17(20)21/h4-5,8-9,13-14H,6-7H2,1-3H3,(H,18,19)(H,20,21)/t13-,14+/m1/s1