[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acrylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C=CC1=CC2=C(C(=C1)OC)OCCO2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)/C=C/C1=CC2=C(C(=C1)OC)OCCO2

InChI

InChI=1S/C20H26N2O7/c1-13(2)6-7-21-20(25)22-17(23)12-29-18(24)5-4-14-10-15(26-3)19-16(11-14)27-8-9-28-19/h4-5,10-11,13H,6-9,12H2,1-3H3,(H2,21,22,23,25)/b5-4+