tert-butyl 3-bromanyl-2-[[[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]amino]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-bromanyl-2-[[[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]amino]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-bromo-2-[[[(1S)-1-methoxycarbonyl-2-methyl-propyl]amino]methyl]indole-1-carboxylate CAS Name: 3-bromo-2-[[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-bromo-2-[[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]methyl]indole-1-carboxylate Traditional Name: 3-bromo-2-[[[(1S)-1-carbomethoxy-2-methyl-propyl]amino]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C20H27BrN2O4 MolecularWeight: 439.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NCC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C20H27BrN2O4/c1-12(2)17(18(24)26-6)22-11-15-16(21)13-9-7-8-10-14(13)23(15)19(25)27-20(3,4)5/h7-10,12,17,22H,11H2,1-6H3/t17-/m0/s1