4-[(3-chloranyl-4,5-diethoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chloranyl-4,5-diethoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-chloro-4,5-diethoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-chloro-4,5-diethoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-chloro-4,5-diethoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-chloro-4,5-diethoxy-benzyl)amino]-4-keto-butyric acid Formula: C15H20ClNO5 MolecularWeight: 329.776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCC

InChI

InChI=1S/C15H20ClNO5/c1-3-21-12-8-10(7-11(16)15(12)22-4-2)9-17-13(18)5-6-14(19)20/h7-8H,3-6,9H2,1-2H3,(H,17,18)(H,19,20)