(phenylmethyl) N-[(2S)-1-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(5-bromo-2-fluoro-phenyl)methylcarbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[(5-bromo-2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[(5-bromo-2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(5-bromo-2-fluoro-benzyl)carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C20H22BrFN2O3 MolecularWeight: 437.302683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)Br)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)Br)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22BrFN2O3/c1-13(2)18(24-20(26)27-12-14-6-4-3-5-7-14)19(25)23-11-15-10-16(21)8-9-17(15)22/h3-10,13,18H,11-12H2,1-2H3,(H,23,25)(H,24,26)/t18-/m0/s1