O1-butyl O3-(4-phenylbutyl) 2-[(2-methylpropylcarbamoylamino)methyl]propanedioate

Systemtic Name: O1-butyl O3-(4-phenylbutyl) 2-[(2-methylpropylcarbamoylamino)methyl]propanedioate Openeye Name: O1-butyl O3-(4-phenylbutyl) 2-[(isobutylcarbamoylamino)methyl]propanedioate CAS Name: 2-[[[(2-methylpropylamino)-oxomethyl]amino]methyl]propanedioic acid O1-butyl ester O3-(4-phenylbutyl) ester IUPAC Name: 1-O-butyl 3-O-(4-phenylbutyl) 2-[(2-methylpropylcarbamoylamino)methyl]propanedioate Traditional Name: 2-[(isobutylcarbamoylamino)methyl]malonic acid O1-butyl ester O3-(4-phenylbutyl) ester Formula: C23H36N2O5 MolecularWeight: 420.54234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CNC(=O)NCC(C)C)C(=O)OCCCCC1=CC=CC=C1

Isomeric SMILES

CCCCOC(=O)C(CNC(=O)NCC(C)C)C(=O)OCCCCC1=CC=CC=C1

InChI

InChI=1S/C23H36N2O5/c1-4-5-14-29-21(26)20(17-25-23(28)24-16-18(2)3)22(27)30-15-10-9-13-19-11-7-6-8-12-19/h6-8,11-12,18,20H,4-5,9-10,13-17H2,1-3H3,(H2,24,25,28)