methyl 7-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]heptanoate CAS Name: 7-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]heptanoate Traditional Name: 7-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]enanthic acid methyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-29-21(27)10-4-2-3-7-15-23-22(28)18-13-11-17(12-14-18)16-26-20-9-6-5-8-19(20)24-25-26/h5-6,8-9,11-14H,2-4,7,10,15-16H2,1H3,(H,23,28)