methyl 6-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]hexanoate CAS Name: 6-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]hexanoate Traditional Name: 6-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]hexanoic acid methyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H24N4O3/c1-28-20(26)9-3-2-6-14-22-21(27)17-12-10-16(11-13-17)15-25-19-8-5-4-7-18(19)23-24-25/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,22,27)