2-[3-(2-methoxyethylamino)-1-phenyl-propoxy]-2-oxidanylidene-ethanoic acid; 6-oxidanylidenecyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 2-[3-(2-methoxyethylamino)-1-phenyl-propoxy]-2-oxidanylidene-ethanoic acid; 6-oxidanylidenecyclohexa-1,3-diene-1-carbonitrile Openeye Name: 2-[3-(2-methoxyethylamino)-1-phenyl-propoxy]-2-oxo-acetic acid; 6-oxocyclohexa-1,3-diene-1-carbonitrile CAS Name: 2-[3-(2-methoxyethylamino)-1-phenylpropoxy]-2-oxoacetic acid; 6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 2-[3-(2-methoxyethylamino)-1-phenylpropoxy]-2-oxoacetic acid; 6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 6-ketocyclohexa-1,3-diene-1-carbonitrile; 2-keto-2-[3-(2-methoxyethylamino)-1-phenyl-propoxy]acetic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COCCNCCC(C1=CC=CC=C1)OC(=O)C(=O)O.C1C=CC=C(C1=O)C#N

Isomeric SMILES

COCCNCCC(C1=CC=CC=C1)OC(=O)C(=O)O.C1C=CC=C(C1=O)C#N

InChI

InChI=1S/C14H19NO5.C7H5NO/c1-19-10-9-15-8-7-12(20-14(18)13(16)17)11-5-3-2-4-6-11;8-5-6-3-1-2-4-7(6)9/h2-6,12,15H,7-10H2,1H3,(H,16,17);1-3H,4H2