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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-bromo-5-methoxy-4-propoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-bromo-5-methoxy-4-propoxy-benzyl)amino]-4-keto-butyric acid Formula: C15H20BrNO5 MolecularWeight: 374.227

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CNC(=O)CCC(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)CNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C15H20BrNO5/c1-3-6-22-15-11(16)7-10(8-12(15)21-2)9-17-13(18)4-5-14(19)20/h7-8H,3-6,9H2,1-2H3,(H,17,18)(H,19,20)