(2S)-2-azaniumyl-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethanoate Openeye Name: (2S)-2-azaniumyl-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]acetate CAS Name: (2S)-2-ammonio-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]acetate IUPAC Name: (2S)-2-azaniumyl-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetate Traditional Name: (2S)-2-ammonio-2-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acetate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C(C(=O)[O-])[NH3+]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H17NO4/c1-3-17-11-5-8-4-7(2)18-10(8)6-9(11)12(14)13(15)16/h5-7,12H,3-4,14H2,1-2H3,(H,15,16)/t7-,12-/m0/s1