(phenylmethyl) N-[(2S)-3-(7-bromanyl-1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-(7-bromanyl-1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(7-bromo-1H-indol-3-yl)methyl]-2-(methylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(7-bromo-1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-(7-bromo-1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(7-bromo-1H-indol-3-yl)methyl]-2-keto-2-(methylamino)ethyl]carbamic acid benzyl ester Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CNC2=C1C=CC=C2Br)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)[C@H](CC1=CNC2=C1C=CC=C2Br)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3O3/c1-22-19(25)17(24-20(26)27-12-13-6-3-2-4-7-13)10-14-11-23-18-15(14)8-5-9-16(18)21/h2-9,11,17,23H,10,12H2,1H3,(H,22,25)(H,24,26)/t17-/m0/s1