2-azanyl-2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)ethanoic acid

Systemtic Name: 2-azanyl-2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)ethanoic acid Openeye Name: 2-amino-2-(3-bromo-4-butoxy-5-methoxy-phenyl)acetic acid CAS Name: 2-amino-2-(3-bromo-4-butoxy-5-methoxyphenyl)acetic acid IUPAC Name: 2-amino-2-(3-bromo-4-butoxy-5-methoxyphenyl)acetic acid Traditional Name: 2-amino-2-(3-bromo-4-butoxy-5-methoxy-phenyl)acetic acid Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C(C(=O)O)N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C(C(=O)O)N)OC

InChI

InChI=1S/C13H18BrNO4/c1-3-4-5-19-12-9(14)6-8(7-10(12)18-2)11(15)13(16)17/h6-7,11H,3-5,15H2,1-2H3,(H,16,17)