methyl 3-[[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]methyl]benzoate

Systemtic Name: methyl 3-[[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]methyl]benzoate Openeye Name: methyl 3-[[(tert-butoxycarbonylamino)-[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]methyl]benzoate CAS Name: 3-[[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonylamino]amino]methyl]benzoate Traditional Name: 3-[[(tert-butoxycarbonylamino)-[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C29H31ClN4O7 MolecularWeight: 583.03204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1=CC=CC(=C1)C(=O)OC)C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1=CC=CC(=C1)C(=O)OC)C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4

InChI

InChI=1S/C29H31ClN4O7/c1-29(2,3)41-28(39)32-34(16-17-8-7-9-18(14-17)27(38)40-4)25(36)22-23(26(37)33-12-5-6-13-33)31-21-15-19(30)10-11-20(21)24(22)35/h7-11,14-15H,5-6,12-13,16H2,1-4H3,(H,31,35)(H,32,39)