4-[(3-bromanyl-5-methoxy-4-pentoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-pentoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-bromo-5-methoxy-4-pentoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-bromo-5-methoxy-4-pentoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-bromo-5-methoxy-4-pentoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(4-amoxy-3-bromo-5-methoxy-benzyl)amino]-4-keto-butyric acid Formula: C17H24BrNO5 MolecularWeight: 402.28016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)CNC(=O)CCC(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)CNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C17H24BrNO5/c1-3-4-5-8-24-17-13(18)9-12(10-14(17)23-2)11-19-15(20)6-7-16(21)22/h9-10H,3-8,11H2,1-2H3,(H,19,20)(H,21,22)