tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-[(4,5-dimethylfuran-2-yl)methyl]amino]carbamate

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-[(4,5-dimethylfuran-2-yl)methyl]amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[(4,5-dimethyl-2-furyl)methyl]amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-[(4,5-dimethyl-2-furanyl)methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[(4,5-dimethylfuran-2-yl)methyl]amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[(4,5-dimethyl-2-furyl)methyl]amino]carbamic acid tert-butyl ester Formula: C27H31ClN4O6 MolecularWeight: 543.01124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN4O6/c1-15-12-18(37-16(15)2)14-32(30-26(36)38-27(3,4)5)24(34)21-22(25(35)31-10-6-7-11-31)29-20-13-17(28)8-9-19(20)23(21)33/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,29,33)(H,30,36)