5-[(4-butoxy-3-methoxy-phenyl)methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-butoxy-3-methoxy-phenyl)methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(4-butoxy-3-methoxy-phenyl)methylamino]-5-oxo-pentanoic acid CAS Name: 5-[(4-butoxy-3-methoxyphenyl)methylamino]-5-oxopentanoic acid IUPAC Name: 5-[(4-butoxy-3-methoxyphenyl)methylamino]-5-oxopentanoic acid Traditional Name: 5-[(4-butoxy-3-methoxy-benzyl)amino]-5-keto-valeric acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)CCCC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)CCCC(=O)O)OC

InChI

InChI=1S/C17H25NO5/c1-3-4-10-23-14-9-8-13(11-15(14)22-2)12-18-16(19)6-5-7-17(20)21/h8-9,11H,3-7,10,12H2,1-2H3,(H,18,19)(H,20,21)