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

Systemtic Name: 3-[4-[2-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]butanoic acid Openeye Name: 3-[4-[[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]butanoic acid CAS Name: 3-[4-[[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-1-oxoethyl]amino]phenyl]butanoic acid IUPAC Name: 3-[4-[[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]butanoic acid Traditional Name: 3-[4-[[2-[2-(o-toluidino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]butyric acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)NC4=CC=C(C=C4)C(C)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)NC4=CC=C(C=C4)C(C)CC(=O)O

InChI

InChI=1S/C26H25N3O4/c1-16-5-3-4-6-21(16)28-26-29-22-12-7-18(14-23(22)33-26)15-24(30)27-20-10-8-19(9-11-20)17(2)13-25(31)32/h3-12,14,17H,13,15H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)