3,4-dimethyl-6-[(4-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 3,4-dimethyl-6-[(4-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(4-isopropylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 3,4-dimethyl-6-[oxo-(4-propan-2-ylanilino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 3,4-dimethyl-6-[(4-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 3,4-dimethyl-6-(p-cumenylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(C)C)C(=O)O)C

InChI

InChI=1S/C19H25NO3/c1-11(2)14-5-7-15(8-6-14)20-18(21)16-9-12(3)13(4)10-17(16)19(22)23/h5-8,11,16-17H,9-10H2,1-4H3,(H,20,21)(H,22,23)