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

Systemtic Name: methyl 4-[1-[2-(benzotriazol-1-yl)ethanoyl-phenyl-amino]-2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzoate Openeye Name: methyl 4-[1-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(cyclohexylamino)-2-oxo-ethyl]benzoate CAS Name: 4-[1-(N-[2-(1-benzotriazolyl)-1-oxoethyl]anilino)-2-(cyclohexylamino)-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(cyclohexylamino)-2-oxoethyl]benzoate Traditional Name: 4-[1-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(cyclohexylamino)-2-keto-ethyl]benzoic acid methyl ester Formula: C30H31N5O4 MolecularWeight: 525.59824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C30H31N5O4/c1-39-30(38)22-18-16-21(17-19-22)28(29(37)31-23-10-4-2-5-11-23)35(24-12-6-3-7-13-24)27(36)20-34-26-15-9-8-14-25(26)32-33-34/h3,6-9,12-19,23,28H,2,4-5,10-11,20H2,1H3,(H,31,37)