3-acetamido-2-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]-2-pyridin-2-yl-butanoic acid

Systemtic Name: 3-acetamido-2-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]-2-pyridin-2-yl-butanoic acid Openeye Name: 3-acetamido-2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-(2-pyridyl)butanoic acid CAS Name: 3-acetamido-2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-(2-pyridinyl)butanoic acid IUPAC Name: 3-acetamido-2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-pyridin-2-ylbutanoic acid Traditional Name: 3-acetamido-2-[2-(o-toluidino)-1,3-benzoxazol-6-yl]-2-(2-pyridyl)butyric acid Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)C(C4=CC=CC=N4)(C(C)NC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)C(C4=CC=CC=N4)(C(C)NC(=O)C)C(=O)O

InChI

InChI=1S/C25H24N4O4/c1-15-8-4-5-9-19(15)28-24-29-20-12-11-18(14-21(20)33-24)25(23(31)32,16(2)27-17(3)30)22-10-6-7-13-26-22/h4-14,16H,1-3H3,(H,27,30)(H,28,29)(H,31,32)