methyl 4-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H18N4O3/c1-29-22(28)17-10-12-18(13-11-17)23-21(27)16-8-6-15(7-9-16)14-26-20-5-3-2-4-19(20)24-25-26/h2-13H,14H2,1H3,(H,23,27)