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

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-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 [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] (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 [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)/C=C/C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C19H25NO5/c1-13(18(22)20-19(2,3)4)25-17(21)9-7-14-6-8-15-16(12-14)24-11-5-10-23-15/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,22)/b9-7+/t13-/m1/s1