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

Systemtic Name: tert-butyl 3-bromanyl-2-[[(2-bromophenyl)methyl-[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-bromo-2-[[(2-bromophenyl)methyl-[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]amino]methyl]indole-1-carboxylate CAS Name: 3-bromo-2-[[(2-bromophenyl)methyl-[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-bromo-2-[[(2-bromophenyl)methyl-[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]indole-1-carboxylate Traditional Name: 3-bromo-2-[[(2-bromobenzyl)-[(1S)-2-keto-2-methoxy-1-methyl-ethyl]amino]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C25H28Br2N2O4 MolecularWeight: 580.30882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(CC1=CC=CC=C1Br)CC2=C(C3=CC=CC=C3N2C(=O)OC(C)(C)C)Br

Isomeric SMILES

C[C@@H](C(=O)OC)N(CC1=CC=CC=C1Br)CC2=C(C3=CC=CC=C3N2C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C25H28Br2N2O4/c1-16(23(30)32-5)28(14-17-10-6-8-12-19(17)26)15-21-22(27)18-11-7-9-13-20(18)29(21)24(31)33-25(2,3)4/h6-13,16H,14-15H2,1-5H3/t16-/m0/s1