2-[ethyl-[2-(phenylmethyl)butanoyl]amino]propanedioate

Systemtic Name: 2-[ethyl-[2-(phenylmethyl)butanoyl]amino]propanedioate Openeye Name: 2-[2-benzylbutanoyl(ethyl)amino]propanedioate CAS Name: 2-[ethyl-[1-oxo-2-(phenylmethyl)butyl]amino]propanedioate IUPAC Name: 2-[2-benzylbutanoyl(ethyl)amino]propanedioate Traditional Name: 2-[2-benzylbutanoyl(ethyl)amino]malonate Formula: C16H19NO5-2 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C(=O)N(CC)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CC=C1)C(=O)N(CC)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H21NO5/c1-3-12(10-11-8-6-5-7-9-11)14(18)17(4-2)13(15(19)20)16(21)22/h5-9,12-13H,3-4,10H2,1-2H3,(H,19,20)(H,21,22)/p-2