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

Systemtic Name: (1S,6R)-6-[(4-ethylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(4-ethylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[(4-ethylanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(4-ethylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(4-ethylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CC(=C(CC2C(=O)O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=C(C[C@@H]2C(=O)O)C)C

InChI

InChI=1S/C18H23NO3/c1-4-13-5-7-14(8-6-13)19-17(20)15-9-11(2)12(3)10-16(15)18(21)22/h5-8,15-16H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)/t15-,16+/m1/s1