3-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-1-benzofuran-5-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-1-benzofuran-5-yl]-2-methyl-propanoic acid Openeye Name: 3-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)benzofuran-5-yl]-2-methyl-propanoic acid CAS Name: 3-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-benzofuranyl]-2-methylpropanoic acid IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-1-benzofuran-5-yl]-2-methylpropanoic acid Traditional Name: 3-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)benzofuran-5-yl]-2-methyl-propionic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(=C2)CN3CCOC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(=C2)CN3CCOC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H21NO4/c1-14(21(23)24)10-15-6-7-19-16(11-15)12-17(26-19)13-22-8-9-25-20-5-3-2-4-18(20)22/h2-7,11-12,14H,8-10,13H2,1H3,(H,23,24)