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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-(tert-butylamino)-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-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-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-butylamino)-2-keto-ethyl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-18(2,3)19-16(20)12-24-17(21)8-6-13-5-7-14-15(11-13)23-10-4-9-22-14/h5-8,11H,4,9-10,12H2,1-3H3,(H,19,20)/b8-6+