(phenylmethyl) N-[(2S,3S)-1-[(4-bromophenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S)-1-[(4-bromophenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-[(4-bromophenyl)carbamoyl]-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-(4-bromoanilino)-3-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-1-(4-bromoanilino)-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-[(4-bromophenyl)carbamoyl]-2-methyl-butyl]carbamic acid benzyl ester Formula: C20H23BrN2O3 MolecularWeight: 419.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23BrN2O3/c1-3-14(2)18(19(24)22-17-11-9-16(21)10-12-17)23-20(25)26-13-15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,22,24)(H,23,25)/t14-,18-/m0/s1