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

Systemtic Name: 2-azanyl-2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)ethanoic acid Openeye Name: 2-amino-2-(3-bromo-5-methoxy-4-propoxy-phenyl)acetic acid CAS Name: 2-amino-2-(3-bromo-5-methoxy-4-propoxyphenyl)acetic acid IUPAC Name: 2-amino-2-(3-bromo-5-methoxy-4-propoxyphenyl)acetic acid Traditional Name: 2-amino-2-(3-bromo-5-methoxy-4-propoxy-phenyl)acetic acid Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(C(=O)O)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(C(=O)O)N)OC

InChI

InChI=1S/C12H16BrNO4/c1-3-4-18-11-8(13)5-7(6-9(11)17-2)10(14)12(15)16/h5-6,10H,3-4,14H2,1-2H3,(H,15,16)