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

Systemtic Name: 4-[(3-bromanyl-4-butoxy-5-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-bromo-4-butoxy-5-methoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-bromo-4-butoxy-5-methoxy-benzyl)amino]-4-keto-butyric acid Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)CNC(=O)CCC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)CNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C16H22BrNO5/c1-3-4-7-23-16-12(17)8-11(9-13(16)22-2)10-18-14(19)5-6-15(20)21/h8-9H,3-7,10H2,1-2H3,(H,18,19)(H,20,21)