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

Systemtic Name: methyl 4-[1-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-2-(tert-butylamino)-2-oxidanylidene-ethyl]benzoate Openeye Name: methyl 4-[1-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-2-(tert-butylamino)-2-oxo-ethyl]benzoate CAS Name: 4-[1-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-2-(tert-butylamino)-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-2-(tert-butylamino)-2-oxoethyl]benzoate Traditional Name: 4-[1-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-2-(tert-butylamino)-2-keto-ethyl]benzoic acid methyl ester Formula: C31H30N6O4 MolecularWeight: 550.6077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C(=O)OC)N(C2=CC3=CC=CC=C3N=C2)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C(=O)OC)N(C2=CC3=CC=CC=C3N=C2)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C31H30N6O4/c1-31(2,3)33-29(39)28(20-13-15-21(16-14-20)30(40)41-4)37(23-17-22-9-5-6-10-24(22)32-18-23)27(38)19-36-26-12-8-7-11-25(26)34-35-36/h5-18,28H,19H2,1-4H3,(H,33,39)