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

Systemtic Name: 2-[3-[3-[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[3-[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[3-[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[3-[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[3-[1,3-benzoxazol-2-yl(cyclopropylmethyl)amino]propyl]phenoxy]-2-methyl-propionic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)CCCN(CC2CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)CCCN(CC2CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H28N2O4/c1-24(2,22(27)28)30-19-9-5-7-17(15-19)8-6-14-26(16-18-12-13-18)23-25-20-10-3-4-11-21(20)29-23/h3-5,7,9-11,15,18H,6,8,12-14,16H2,1-2H3,(H,27,28)