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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-(1,1-dimethylpropylamino)-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-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-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-(tert-amylamino)-2-keto-ethyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C=CC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C19H25NO5/c1-4-19(2,3)20-17(21)13-25-18(22)9-7-14-6-8-15-16(12-14)24-11-5-10-23-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,21)/b9-7+