4-[(2-butoxy-3-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2-butoxy-3-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(2-butoxy-3-methoxy-phenyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(2-butoxy-3-methoxyphenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(2-butoxy-3-methoxyphenyl)methylamino]-4-oxobutanoate Traditional Name: 4-[(2-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=CC=C1OC)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=CC=C1OC)CNC(=O)CCC(=O)[O-]

InChI

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