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

Systemtic Name: ethyl 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-4-keto-butyric acid ethyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CCC(=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CCC(=O)OCC

InChI

InChI=1S/C18H25NO5/c1-4-22-15-9-13-8-12(3)24-16(13)10-14(15)11-19-17(20)6-7-18(21)23-5-2/h9-10,12H,4-8,11H2,1-3H3,(H,19,20)/t12-/m0/s1