4-[(4-butoxy-3-chloranyl-5-ethoxy-phenyl)methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(4-butoxy-3-chloranyl-5-ethoxy-phenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(4-butoxy-3-chloro-5-ethoxy-phenyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(4-butoxy-3-chloro-5-ethoxyphenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(4-butoxy-3-chloro-5-ethoxyphenyl)methylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxy-3-chloro-5-ethoxy-benzyl)amino]-4-keto-butyrate Formula: C17H23ClNO5- MolecularWeight: 356.82122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)CNC(=O)CCC(=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)CNC(=O)CCC(=O)[O-])OCC

InChI

InChI=1S/C17H24ClNO5/c1-3-5-8-24-17-13(18)9-12(10-14(17)23-4-2)11-19-15(20)6-7-16(21)22/h9-10H,3-8,11H2,1-2H3,(H,19,20)(H,21,22)/p-1