(3R)-3-azanyl-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]propanoic acid

Systemtic Name: (3R)-3-azanyl-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]propanoic acid Openeye Name: (3R)-3-amino-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]propanoic acid CAS Name: (3R)-3-amino-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]propanoic acid IUPAC Name: (3R)-3-amino-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]propanoic acid Traditional Name: (3R)-3-amino-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]propionic acid Formula: C14H19NO4 MolecularWeight: 265.30496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C(CC(=O)O)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)[C@@H](CC(=O)O)N

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