3-[5-[2-[4-methyl-2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]pyridin-2-yl]butanoic acid

Systemtic Name: 3-[5-[2-[4-methyl-2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]pyridin-2-yl]butanoic acid Openeye Name: 3-[5-[[2-[4-methyl-2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]-2-pyridyl]butanoic acid CAS Name: 3-[5-[[2-[4-methyl-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-1-oxoethyl]amino]-2-pyridinyl]butanoic acid IUPAC Name: 3-[5-[[2-[4-methyl-2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]pyridin-2-yl]butanoic acid Traditional Name: 3-[5-[[2-[4-methyl-2-(o-toluidino)-1,3-benzoxazol-6-yl]acetyl]amino]-2-pyridyl]butyric acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(C=C(C=C3O2)CC(=O)NC4=CN=C(C=C4)C(C)CC(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(C=C(C=C3O2)CC(=O)NC4=CN=C(C=C4)C(C)CC(=O)O)C

InChI

InChI=1S/C26H26N4O4/c1-15-6-4-5-7-21(15)29-26-30-25-17(3)10-18(12-22(25)34-26)13-23(31)28-19-8-9-20(27-14-19)16(2)11-24(32)33/h4-10,12,14,16H,11,13H2,1-3H3,(H,28,31)(H,29,30)(H,32,33)