(2E,4E)-5-(7-methoxy-3-pentyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-(7-methoxy-3-pentyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-(7-methoxy-3-pentyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-(7-methoxy-3-pentyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-(7-methoxy-3-pentyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-(3-amyl-7-methoxy-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC2=C(C=C(C=C2)OC)C(=C1)C=CC(=CC(=O)O)C

Isomeric SMILES

CCCCCC1COC2=C(C=C(C=C2)OC)C(=C1)/C=C/C(=C/C(=O)O)/C

InChI

InChI=1S/C22H28O4/c1-4-5-6-7-17-13-18(9-8-16(2)12-22(23)24)20-14-19(25-3)10-11-21(20)26-15-17/h8-14,17H,4-7,15H2,1-3H3,(H,23,24)/b9-8+,16-12+