diethyl 2-[2-(2-azanyl-5-methoxy-phenyl)-2-oxidanylidene-ethyl]-2-(butanoylamino)propanedioate

Systemtic Name: diethyl 2-[2-(2-azanyl-5-methoxy-phenyl)-2-oxidanylidene-ethyl]-2-(butanoylamino)propanedioate Openeye Name: diethyl 2-[2-(2-amino-5-methoxy-phenyl)-2-oxo-ethyl]-2-(butanoylamino)propanedioate CAS Name: 2-[2-(2-amino-5-methoxyphenyl)-2-oxoethyl]-2-(1-oxobutylamino)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(2-amino-5-methoxyphenyl)-2-oxoethyl]-2-(butanoylamino)propanedioate Traditional Name: 2-[2-(2-amino-5-methoxy-phenyl)-2-keto-ethyl]-2-butyramido-malonic acid diethyl ester Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC(=O)C1=C(C=CC(=C1)OC)N)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC(CC(=O)C1=C(C=CC(=C1)OC)N)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H28N2O7/c1-5-8-17(24)22-20(18(25)28-6-2,19(26)29-7-3)12-16(23)14-11-13(27-4)9-10-15(14)21/h9-11H,5-8,12,21H2,1-4H3,(H,22,24)