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

Systemtic Name: 2-[3-[2-[1,3-benzoxazol-2-yl(naphthalen-1-ylmethyl)amino]ethyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[2-[1,3-benzoxazol-2-yl(1-naphthylmethyl)amino]ethyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[2-[1,3-benzoxazol-2-yl(1-naphthalenylmethyl)amino]ethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[2-[1,3-benzoxazol-2-yl(naphthalen-1-ylmethyl)amino]ethyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[2-[1,3-benzoxazol-2-yl(1-naphthylmethyl)amino]ethyl]phenoxy]-2-methyl-propionic acid Formula: C30H28N2O4 MolecularWeight: 480.55432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N2O4/c1-30(2,28(33)34)36-24-13-7-9-21(19-24)17-18-32(29-31-26-15-5-6-16-27(26)35-29)20-23-12-8-11-22-10-3-4-14-25(22)23/h3-16,19H,17-18,20H2,1-2H3,(H,33,34)