[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H21NO6/c1-15(24)23-18-7-5-17(6-8-18)19(25)14-29-22(26)10-4-16-3-9-20-21(13-16)28-12-2-11-27-20/h3-10,13H,2,11-12,14H2,1H3,(H,23,24)/b10-4+