2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]acetic acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CC2=CC(=CC=C2)OCC(=O)O)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC(=CC=C2)OCC(=O)O)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H24N2O4/c28-24(29)18-30-21-12-6-10-20(16-21)17-27(15-7-11-19-8-2-1-3-9-19)25-26-22-13-4-5-14-23(22)31-25/h1-6,8-10,12-14,16H,7,11,15,17-18H2,(H,28,29)