methyl 2-[2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[4-(benzotriazol-1-ylmethyl)benzoyl]-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-(benzotriazol-1-ylmethyl)benzoyl]-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[[4-(benzotriazol-1-ylmethyl)benzoyl]-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H23N5O4/c1-29(16-23(31)26-20-8-4-3-7-19(20)25(33)34-2)24(32)18-13-11-17(12-14-18)15-30-22-10-6-5-9-21(22)27-28-30/h3-14H,15-16H2,1-2H3,(H,26,31)