methyl 4-[1-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzoate

Systemtic Name: methyl 4-[1-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzoate Openeye Name: methyl 4-[1-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-2-(cyclohexylamino)-2-oxo-ethyl]benzoate CAS Name: 4-[1-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-2-(cyclohexylamino)-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-2-(cyclohexylamino)-2-oxoethyl]benzoate Traditional Name: 4-[1-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-2-(cyclohexylamino)-2-keto-ethyl]benzoic acid methyl ester Formula: C33H32N6O4 MolecularWeight: 576.64498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C33H32N6O4/c1-43-33(42)23-17-15-22(16-18-23)31(32(41)35-25-10-3-2-4-11-25)39(26-19-24-9-5-6-12-27(24)34-20-26)30(40)21-38-29-14-8-7-13-28(29)36-37-38/h5-9,12-20,25,31H,2-4,10-11,21H2,1H3,(H,35,41)