[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N2O5/c1-3-27-19-9-17-8-14(2)29-20(17)10-18(19)12-24-21(25)13-28-22(26)16-6-4-15(11-23)5-7-16/h4-7,9-10,14H,3,8,12-13H2,1-2H3,(H,24,25)/t14-/m0/s1