(phenylmethyl) N-[5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]-N-phenylmethoxycarbonyl-carbamate

Systemtic Name: (phenylmethyl) N-[5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]-N-phenylmethoxycarbonyl-carbamate Openeye Name: benzyl N-(4-amino-1-formyl-4-oxo-butyl)-N-benzyloxycarbonyl-carbamate CAS Name: N-(5-amino-1,5-dioxopentan-2-yl)-N-phenylmethoxycarbonylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(5-amino-1,5-dioxopentan-2-yl)-N-phenylmethoxycarbonylcarbamate Traditional Name: N-(4-amino-1-formyl-4-keto-butyl)-N-carbobenzoxy-carbamic acid benzyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(CCC(=O)N)C=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(CCC(=O)N)C=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c22-19(25)12-11-18(13-24)23(20(26)28-14-16-7-3-1-4-8-16)21(27)29-15-17-9-5-2-6-10-17/h1-10,13,18H,11-12,14-15H2,(H2,22,25)