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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Openeye Name: [2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-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-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)OCC(=O)NC(=O)NC3CCCC3)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)OCC(=O)NC(=O)NC3CCCC3)O[C@H](C2)C

InChI

InChI=1S/C22H28N2O6/c1-3-28-18-12-16-10-14(2)30-19(16)11-15(18)8-9-21(26)29-13-20(25)24-22(27)23-17-6-4-5-7-17/h8-9,11-12,14,17H,3-7,10,13H2,1-2H3,(H2,23,24,25,27)/b9-8+/t14-/m0/s1