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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(isopentylamino)-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-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H21NO5/c1-12(2)7-8-18-16(19)10-21-17(20)6-4-13-3-5-14-15(9-13)23-11-22-14/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,18,19)/b6-4+