methyl 4-[[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-methyl-1-(3-phenylanthranil-5-yl)triazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C25H19N5O4 MolecularWeight: 453.44946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C25H19N5O4/c1-15-22(24(31)26-18-10-8-17(9-11-18)25(32)33-2)27-29-30(15)19-12-13-21-20(14-19)23(34-28-21)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,26,31)