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

Systemtic Name: 2-[3-[[1,3-benzoxazol-2-yl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]butanoic acid Openeye Name: 2-[3-[[1,3-benzoxazol-2-yl(1-naphthylmethyl)amino]methyl]phenoxy]butanoic acid CAS Name: 2-[3-[[1,3-benzoxazol-2-yl(1-naphthalenylmethyl)amino]methyl]phenoxy]butanoic acid IUPAC Name: 2-[3-[[1,3-benzoxazol-2-yl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]butanoic acid Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl(1-naphthylmethyl)amino]methyl]phenoxy]butyric acid Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=CC(=C1)CN(CC2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCC(C(=O)O)OC1=CC=CC(=C1)CN(CC2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C29H26N2O4/c1-2-26(28(32)33)34-23-13-7-9-20(17-23)18-31(29-30-25-15-5-6-16-27(25)35-29)19-22-12-8-11-21-10-3-4-14-24(21)22/h3-17,26H,2,18-19H2,1H3,(H,32,33)