[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H21NO5/c1-4-17(2,3)18-15(19)10-21-16(20)8-6-12-5-7-13-14(9-12)23-11-22-13/h5-9H,4,10-11H2,1-3H3,(H,18,19)/b8-6+