4-[[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]carbamoyl]benzoic acid Openeye Name: 4-[[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]carbamoyl]benzoic acid CAS Name: 4-[oxo-[[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]carbamoyl]benzoic acid Traditional Name: 4-[[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]carbamoyl]benzoic acid Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CNC(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/NC(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H23NO3/c1-13-5-4-11-19(2,3)16(13)10-12-20-17(21)14-6-8-15(9-7-14)18(22)23/h6-10,12H,4-5,11H2,1-3H3,(H,20,21)(H,22,23)/b12-10+