4-[methyl-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[methyl-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[methyl-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[methyl-[(E)-1-oxo-3-(2,6,6-trimethyl-1-cyclohexenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 4-[methyl-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[methyl-[(E)-3-(2,6,6-trimethylcyclohexen-1-yl)acryloyl]amino]benzoic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-14-6-5-13-20(2,3)17(14)11-12-18(22)21(4)16-9-7-15(8-10-16)19(23)24/h7-12H,5-6,13H2,1-4H3,(H,23,24)/b12-11+