[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-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-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-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-(4-carbamoylpiperidino)-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)N3CCC(CC3)C(=O)N)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)OCC(=O)N3CCC(CC3)C(=O)N)O[C@H](C2)C

InChI

InChI=1S/C22H28N2O6/c1-3-28-18-12-17-10-14(2)30-19(17)11-16(18)4-5-21(26)29-13-20(25)24-8-6-15(7-9-24)22(23)27/h4-5,11-12,14-15H,3,6-10,13H2,1-2H3,(H2,23,27)/b5-4+/t14-/m0/s1