(phenylmethyl) N-[1-[[4-(3-methylbutanoylamino)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[4-(3-methylbutanoylamino)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-[4-(3-methylbutanoylamino)anilino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[4-[(3-methyl-1-oxobutyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[4-(3-methylbutanoylamino)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[4-(isovalerylamino)anilino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O4/c1-20(2)17-26(32)29-23-13-15-24(16-14-23)30-27(33)25(18-21-9-5-3-6-10-21)31-28(34)35-19-22-11-7-4-8-12-22/h3-16,20,25H,17-19H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)