2-[3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]phenoxy]-2-methyl-propionic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CCCN2CCOC3=CC=CC=C32

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CCCN2CCOC3=CC=CC=C32

InChI

InChI=1S/C21H25NO4/c1-21(2,20(23)24)26-17-9-5-7-16(15-17)8-6-12-22-13-14-25-19-11-4-3-10-18(19)22/h3-5,7,9-11,15H,6,8,12-14H2,1-2H3,(H,23,24)