tert-butyl N-[2-[[5-(2-bromanylprop-2-enoylamino)-1-methyl-indol-2-yl]carbonylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[5-(2-bromanylprop-2-enoylamino)-1-methyl-indol-2-yl]carbonylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[[5-(2-bromoprop-2-enoylamino)-1-methyl-indole-2-carbonyl]amino]ethyl]carbamate CAS Name: N-[2-[[[5-[(2-bromo-1-oxoprop-2-enyl)amino]-1-methyl-2-indolyl]-oxomethyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[5-(2-bromoprop-2-enoylamino)-1-methylindole-2-carbonyl]amino]ethyl]carbamate Traditional Name: N-[2-[[5-[(2-bromoacryloyl)amino]-1-methyl-indole-2-carbonyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C20H25BrN4O4 MolecularWeight: 465.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C(=C)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C(=C)Br

InChI

InChI=1S/C20H25BrN4O4/c1-12(21)17(26)24-14-6-7-15-13(10-14)11-16(25(15)5)18(27)22-8-9-23-19(28)29-20(2,3)4/h6-7,10-11H,1,8-9H2,2-5H3,(H,22,27)(H,23,28)(H,24,26)