methyl 4-[2-(benzotriazol-1-yl)ethanoyl-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-[2-(benzotriazol-1-yl)ethanoyl-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclohexylamino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclohexylamino)-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H27N5O4/c1-33-24(32)17-11-13-19(14-12-17)28(15-22(30)25-18-7-3-2-4-8-18)23(31)16-29-21-10-6-5-9-20(21)26-27-29/h5-6,9-14,18H,2-4,7-8,15-16H2,1H3,(H,25,30)