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

Systemtic Name: 4-[(4-butoxy-3-ethoxy-phenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(4-butoxy-3-ethoxy-phenyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(4-butoxy-3-ethoxyphenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(4-butoxy-3-ethoxyphenyl)methylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxy-3-ethoxy-benzyl)amino]-4-keto-butyrate Formula: C17H24NO5- MolecularWeight: 322.37616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)CCC(=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)CCC(=O)[O-])OCC

InChI

InChI=1S/C17H25NO5/c1-3-5-10-23-14-7-6-13(11-15(14)22-4-2)12-18-16(19)8-9-17(20)21/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,19)(H,20,21)/p-1