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

Systemtic Name: tert-butyl N-[(4-aminophenyl)methyl-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl]amino]carbamate Openeye Name: tert-butyl N-[(4-aminophenyl)methyl-[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamate CAS Name: N-[(4-aminophenyl)methyl-[[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-[(4-aminophenyl)methyl-[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamate Traditional Name: N-[(4-aminobenzyl)-[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamic acid tert-butyl ester Formula: C27H30ClN5O5 MolecularWeight: 540.0106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H30ClN5O5/c1-27(2,3)38-26(37)31-33(15-16-6-9-18(29)10-7-16)24(35)21-22(25(36)32-12-4-5-13-32)30-20-14-17(28)8-11-19(20)23(21)34/h6-11,14H,4-5,12-13,15,29H2,1-3H3,(H,30,34)(H,31,37)