methyl 3-[2-(benzotriazol-1-yl)ethanoyl-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]benzoate

Systemtic Name: methyl 3-[2-(benzotriazol-1-yl)ethanoyl-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]benzoate Openeye Name: methyl 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl]amino]benzoate CAS Name: 3-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]amino]benzoate Traditional Name: 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclohexylamino)-2-keto-1-phenyl-ethyl]amino]benzoic acid methyl ester Formula: C30H31N5O4 MolecularWeight: 525.59824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N(C(C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N(C(C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C30H31N5O4/c1-39-30(38)22-13-10-16-24(19-22)35(27(36)20-34-26-18-9-8-17-25(26)32-33-34)28(21-11-4-2-5-12-21)29(37)31-23-14-6-3-7-15-23/h2,4-5,8-13,16-19,23,28H,3,6-7,14-15,20H2,1H3,(H,31,37)