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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-(hexylamino)-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-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-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-(hexylamino)-2-keto-ethyl] ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C=CC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCCCCCNC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C20H27NO5/c1-2-3-4-5-11-21-19(22)15-26-20(23)10-8-16-7-9-17-18(14-16)25-13-6-12-24-17/h7-10,14H,2-6,11-13,15H2,1H3,(H,21,22)/b10-8+