bis(phenylmethyl) 2-[3-methyl-1-(phenylmethoxycarbonylamino)butyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[3-methyl-1-(phenylmethoxycarbonylamino)butyl]propanedioate Openeye Name: dibenzyl 2-[1-(benzyloxycarbonylamino)-3-methyl-butyl]propanedioate CAS Name: 2-[3-methyl-1-(phenylmethoxycarbonylamino)butyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[3-methyl-1-(phenylmethoxycarbonylamino)butyl]propanedioate Traditional Name: 2-[1-(benzyloxycarbonylamino)-3-methyl-butyl]malonic acid dibenzyl ester Formula: C30H33NO6 MolecularWeight: 503.58612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33NO6/c1-22(2)18-26(31-30(34)37-21-25-16-10-5-11-17-25)27(28(32)35-19-23-12-6-3-7-13-23)29(33)36-20-24-14-8-4-9-15-24/h3-17,22,26-27H,18-21H2,1-2H3,(H,31,34)