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

Systemtic Name: (3R)-3-azaniumyl-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]propanoate Openeye Name: (3R)-3-azaniumyl-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]propanoate CAS Name: (3R)-3-ammonio-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]propanoate IUPAC Name: (3R)-3-azaniumyl-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]propanoate Traditional Name: (3R)-3-ammonio-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]propionate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-3-18-13-5-9-4-8(2)19-12(9)6-10(13)11(15)7-14(16)17/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17)/t8-,11+/m0/s1