4-azanyl-2-(3,5-diethoxy-4-oxidanyl-phenyl)carbonyl-butanoic acid

Systemtic Name: 4-azanyl-2-(3,5-diethoxy-4-oxidanyl-phenyl)carbonyl-butanoic acid Openeye Name: 4-amino-2-(3,5-diethoxy-4-hydroxy-benzoyl)butanoic acid CAS Name: 4-amino-2-[(3,5-diethoxy-4-hydroxyphenyl)-oxomethyl]butanoic acid IUPAC Name: 4-amino-2-(3,5-diethoxy-4-hydroxybenzoyl)butanoic acid Traditional Name: 4-amino-2-(3,5-diethoxy-4-hydroxy-benzoyl)butyric acid Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)OCC)C(=O)C(CCN)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1O)OCC)C(=O)C(CCN)C(=O)O

InChI

InChI=1S/C15H21NO6/c1-3-21-11-7-9(8-12(14(11)18)22-4-2)13(17)10(5-6-16)15(19)20/h7-8,10,18H,3-6,16H2,1-2H3,(H,19,20)