4-(1-benzofuran-2-yl)-2-methyl-3-[3-(pyridin-3-ylmethylamino)propoxy]-1,3-oxazolidine-4-carboxylic acid

Systemtic Name: 4-(1-benzofuran-2-yl)-2-methyl-3-[3-(pyridin-3-ylmethylamino)propoxy]-1,3-oxazolidine-4-carboxylic acid Openeye Name: 4-(benzofuran-2-yl)-2-methyl-3-[3-(3-pyridylmethylamino)propoxy]oxazolidine-4-carboxylic acid CAS Name: 4-(2-benzofuranyl)-2-methyl-3-[3-(3-pyridinylmethylamino)propoxy]-4-oxazolidinecarboxylic acid IUPAC Name: 4-(1-benzofuran-2-yl)-2-methyl-3-[3-(pyridin-3-ylmethylamino)propoxy]-1,3-oxazolidine-4-carboxylic acid Traditional Name: 4-(benzofuran-2-yl)-2-methyl-3-[3-(3-pyridylmethylamino)propoxy]oxazolidine-4-carboxylic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(CO1)(C2=CC3=CC=CC=C3O2)C(=O)O)OCCCNCC4=CN=CC=C4

Isomeric SMILES

CC1N(C(CO1)(C2=CC3=CC=CC=C3O2)C(=O)O)OCCCNCC4=CN=CC=C4

InChI

InChI=1S/C22H25N3O5/c1-16-25(29-11-5-10-24-14-17-6-4-9-23-13-17)22(15-28-16,21(26)27)20-12-18-7-2-3-8-19(18)30-20/h2-4,6-9,12-13,16,24H,5,10-11,14-15H2,1H3,(H,26,27)