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

Systemtic Name: 4-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxy-3-methoxy-benzyl)amino]-4-keto-butyrate Formula: C16H22NO5- MolecularWeight: 308.34958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5/c1-3-4-9-22-13-6-5-12(10-14(13)21-2)11-17-15(18)7-8-16(19)20/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,17,18)(H,19,20)/p-1