4-[(3-methoxy-2-pentoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-methoxy-2-pentoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-methoxy-2-pentoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-methoxy-2-pentoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-methoxy-2-pentoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(2-amoxy-3-methoxy-benzyl)amino]-4-keto-butyric acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC=C1OC)CNC(=O)CCC(=O)O

Isomeric SMILES

CCCCCOC1=C(C=CC=C1OC)CNC(=O)CCC(=O)O

InChI

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