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

Systemtic Name: 4-[(3-bromanyl-4-hexoxy-5-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-bromo-4-hexoxy-5-methoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-bromo-4-hexoxy-5-methoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-bromo-4-hexoxy-5-methoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-bromo-4-hexoxy-5-methoxy-benzyl)amino]-4-keto-butyric acid Formula: C18H26BrNO5 MolecularWeight: 416.30674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)CNC(=O)CCC(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)CNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C18H26BrNO5/c1-3-4-5-6-9-25-18-14(19)10-13(11-15(18)24-2)12-20-16(21)7-8-17(22)23/h10-11H,3-9,12H2,1-2H3,(H,20,21)(H,22,23)