[2-[[4-methyl-1-oxidanylidene-1-(2-phenylmethoxycarbonylhydrazinyl)pentan-2-yl]carbamoyl]phenyl]methyl benzoate

Systemtic Name: [2-[[4-methyl-1-oxidanylidene-1-(2-phenylmethoxycarbonylhydrazinyl)pentan-2-yl]carbamoyl]phenyl]methyl benzoate Openeye Name: [2-[[1-(benzyloxycarbonylaminocarbamoyl)-3-methyl-butyl]carbamoyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[[[4-methyl-1-oxo-1-(phenylmethoxycarbonylhydrazo)pentan-2-yl]amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[[4-methyl-1-oxo-1-(2-phenylmethoxycarbonylhydrazinyl)pentan-2-yl]carbamoyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[[1-(benzyloxycarbonylaminocarbamoyl)-3-methyl-butyl]carbamoyl]benzyl] ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NNC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NNC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H31N3O6/c1-20(2)17-25(27(34)31-32-29(36)38-18-21-11-5-3-6-12-21)30-26(33)24-16-10-9-15-23(24)19-37-28(35)22-13-7-4-8-14-22/h3-16,20,25H,17-19H2,1-2H3,(H,30,33)(H,31,34)(H,32,36)