2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]butanoic acid

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]butanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]butanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]butanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]butanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(propyl)amino]methyl]phenoxy]butyric acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=CC=C1)OC(CC)C(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCN(CC1=CC(=CC=C1)OC(CC)C(=O)O)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H24N2O4/c1-3-12-23(21-22-17-10-5-6-11-19(17)27-21)14-15-8-7-9-16(13-15)26-18(4-2)20(24)25/h5-11,13,18H,3-4,12,14H2,1-2H3,(H,24,25)