(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-oxidanyl-4-phenylmethoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-oxidanyl-4-phenylmethoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-benzyloxy-2-hydroxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzoxy-2-hydroxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Formula: C25H22O5 MolecularWeight: 402.43918

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)C3=C(C=C(C=C3)OCC4=CC=CC=C4)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)C3=C(C=C(C=C3)OCC4=CC=CC=C4)O)OC1

InChI

InChI=1S/C25H22O5/c26-22(11-7-18-8-12-24-25(15-18)29-14-4-13-28-24)21-10-9-20(16-23(21)27)30-17-19-5-2-1-3-6-19/h1-3,5-12,15-16,27H,4,13-14,17H2/b11-7+