(2E,4E)-5-(3,3-dimethyl-7-propan-2-yl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-(3,3-dimethyl-7-propan-2-yl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-(7-isopropyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-(3,3-dimethyl-7-propan-2-yl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-(3,3-dimethyl-7-propan-2-yl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-(7-isopropyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid Formula: C21H26O3 MolecularWeight: 326.42934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OCC(C=C2C=CC(=CC(=O)O)C)(C)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OCC(C=C2/C=C/C(=C/C(=O)O)/C)(C)C

InChI

InChI=1S/C21H26O3/c1-14(2)16-8-9-19-18(11-16)17(12-21(4,5)13-24-19)7-6-15(3)10-20(22)23/h6-12,14H,13H2,1-5H3,(H,22,23)/b7-6+,15-10+