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

Systemtic Name: 4-[(2-hexoxy-3-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(2-hexoxy-3-methoxy-phenyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(2-hexoxy-3-methoxyphenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(2-hexoxy-3-methoxyphenyl)methylamino]-4-oxobutanoate Traditional Name: 4-[(2-hexoxy-3-methoxy-benzyl)amino]-4-keto-butyrate Formula: C18H26NO5- MolecularWeight: 336.40274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC=C1OC)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=CC=C1OC)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H27NO5/c1-3-4-5-6-12-24-18-14(8-7-9-15(18)23-2)13-19-16(20)10-11-17(21)22/h7-9H,3-6,10-13H2,1-2H3,(H,19,20)(H,21,22)/p-1