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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]butanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]butanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]butanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]butanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]methyl]phenoxy]butyric acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=CC(=C1)CN(CCCC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)O)OC1=CC=CC(=C1)CN(CCCC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C27H28N2O4/c1-2-24(26(30)31)32-22-14-8-12-21(18-22)19-29(17-9-13-20-10-4-3-5-11-20)27-28-23-15-6-7-16-25(23)33-27/h3-8,10-12,14-16,18,24H,2,9,13,17,19H2,1H3,(H,30,31)