4-[(E)-2-[5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzoxepin-8-yl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzoxepin-8-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzoxepin-8-yl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzoxepin-8-yl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzoxepin-8-yl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[5-(methoxymethyl)-5-methyl-3,4-dihydro-2H-1-benzoxepin-8-yl]vinyl]benzoic acid Formula: C22H24O4 MolecularWeight: 352.42356

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCOC2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)COC

Isomeric SMILES

CC1(CCCOC2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)COC

InChI

InChI=1S/C22H24O4/c1-22(15-25-2)12-3-13-26-20-14-17(8-11-19(20)22)5-4-16-6-9-18(10-7-16)21(23)24/h4-11,14H,3,12-13,15H2,1-2H3,(H,23,24)/b5-4+