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

Systemtic Name: (1R,6S)-6-[(4-ethanoylphenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(4-acetylphenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(4-acetylanilino)-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(4-acetylphenyl)carbamoyl]-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(4-acetylphenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)C)C(=O)O

InChI

InChI=1S/C17H19NO4/c1-10-3-8-14(17(21)22)15(9-10)16(20)18-13-6-4-12(5-7-13)11(2)19/h3-7,14-15H,8-9H2,1-2H3,(H,18,20)(H,21,22)/t14-,15+/m1/s1