3-[3-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methylsulfonyl)amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methylsulfonyl)amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[2,3-dihydrobenzofuran-5-ylmethyl(methylsulfonyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[2,3-dihydrobenzofuran-5-ylmethyl(methylsulfonyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methylsulfonyl)amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[coumaran-5-ylmethyl(mesyl)amino]methyl]phenyl]propionic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC2=C(C=C1)OCC2)CC3=CC=CC(=C3)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC2=C(C=C1)OCC2)CC3=CC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C20H23NO5S/c1-27(24,25)21(14-17-5-7-19-18(12-17)9-10-26-19)13-16-4-2-3-15(11-16)6-8-20(22)23/h2-5,7,11-12H,6,8-10,13-14H2,1H3,(H,22,23)