[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [(1S)-2-(diisopropylamino)-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 [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-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 [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-14(2)22(15(3)4)21(24)16(5)27-20(23)10-8-17-7-9-18-19(13-17)26-12-6-11-25-18/h7-10,13-16H,6,11-12H2,1-5H3/b10-8+/t16-/m0/s1