tert-butyl N-[1-(1-benzofuran-2-yl)ethyl-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl]amino]carbamate

Systemtic Name: tert-butyl N-[1-(1-benzofuran-2-yl)ethyl-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl]amino]carbamate Openeye Name: tert-butyl N-[1-(benzofuran-2-yl)ethyl-[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamate CAS Name: N-[1-(2-benzofuranyl)ethyl-[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(1-benzofuran-2-yl)ethyl-[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamate Traditional Name: N-[1-(benzofuran-2-yl)ethyl-[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamic acid tert-butyl ester Formula: C30H31ClN4O6 MolecularWeight: 579.04334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)N(C(=O)C3=C(NC4=C(C3=O)C=CC(=C4)Cl)C(=O)N5CCCC5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)N(C(=O)C3=C(NC4=C(C3=O)C=CC(=C4)Cl)C(=O)N5CCCC5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H31ClN4O6/c1-17(23-15-18-9-5-6-10-22(18)40-23)35(33-29(39)41-30(2,3)4)27(37)24-25(28(38)34-13-7-8-14-34)32-21-16-19(31)11-12-20(21)26(24)36/h5-6,9-12,15-17H,7-8,13-14H2,1-4H3,(H,32,36)(H,33,39)