[2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C=CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCNC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H21NO5/c1-2-3-8-18-16(19)12-23-17(20)7-5-13-4-6-14-15(11-13)22-10-9-21-14/h4-7,11H,2-3,8-10,12H2,1H3,(H,18,19)/b7-5+