[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enoate CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propenoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acrylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)OCC(=O)NC(=O)NCCC(C)C)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)OCC(=O)NC(=O)NCCC(C)C)O[C@H](C2)C

InChI

InChI=1S/C22H30N2O6/c1-5-28-18-12-17-10-15(4)30-19(17)11-16(18)6-7-21(26)29-13-20(25)24-22(27)23-9-8-14(2)3/h6-7,11-12,14-15H,5,8-10,13H2,1-4H3,(H2,23,24,25,27)/b7-6+/t15-/m0/s1