(phenylmethyl) N-[2-[[(E,2S)-5-bromanyl-1-phenyl-pent-3-en-2-yl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[[(E,2S)-5-bromanyl-1-phenyl-pent-3-en-2-yl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: benzyl N-[2-[[(E,1S)-1-benzyl-4-bromo-but-2-enyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[(E,2S)-5-bromo-1-phenylpent-3-en-2-yl]amino]-2-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[[(E,2S)-5-bromo-1-phenylpent-3-en-2-yl]amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[[(E,1S)-1-benzyl-4-bromo-but-2-enyl]amino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C=CCBr)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](/C=C/CBr)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23BrN2O3/c22-13-7-12-19(14-17-8-3-1-4-9-17)24-20(25)15-23-21(26)27-16-18-10-5-2-6-11-18/h1-12,19H,13-16H2,(H,23,26)(H,24,25)/b12-7+/t19-/m1/s1