diethyl 2-butyl-2-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]propanedioate

Systemtic Name: diethyl 2-butyl-2-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]propanedioate Openeye Name: diethyl 2-[3-(benzylamino)-3-oxo-propyl]-2-butyl-propanedioate CAS Name: 2-butyl-2-[3-oxo-3-[(phenylmethyl)amino]propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(benzylamino)-3-oxopropyl]-2-butylpropanedioate Traditional Name: 2-[3-(benzylamino)-3-keto-propyl]-2-butyl-malonic acid diethyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)NCC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC(CCC(=O)NCC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H31NO5/c1-4-7-14-21(19(24)26-5-2,20(25)27-6-3)15-13-18(23)22-16-17-11-9-8-10-12-17/h8-12H,4-7,13-16H2,1-3H3,(H,22,23)