(phenylmethyl) N-[(2S)-3-methyl-1-[2-(4-methylphenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-[2-(4-methylphenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[[(4-methylbenzoyl)amino]carbamoyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-[[(4-methylphenyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[(p-toluoylamino)carbamoyl]propyl]carbamic acid benzyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4/c1-14(2)18(22-21(27)28-13-16-7-5-4-6-8-16)20(26)24-23-19(25)17-11-9-15(3)10-12-17/h4-12,14,18H,13H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t18-/m0/s1