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

Systemtic Name: (phenylmethyl) N-[(2S)-1-[2-(4-ethylphenyl)carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(4-ethylphenyl)-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[2-(4-ethylbenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NNC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NNC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-4-16-10-12-18(13-11-16)20(26)24-25-21(27)19(15(2)3)23-22(28)29-14-17-8-6-5-7-9-17/h5-13,15,19H,4,14H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t19-/m0/s1