ethanedioic acid; ethyl 3-azanyl-3-(3-bromanyl-4-methoxy-phenyl)propanoate

Systemtic Name: ethanedioic acid; ethyl 3-azanyl-3-(3-bromanyl-4-methoxy-phenyl)propanoate Openeye Name: ethyl 3-amino-3-(3-bromo-4-methoxy-phenyl)propanoate; oxalic acid CAS Name: 3-amino-3-(3-bromo-4-methoxyphenyl)propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-amino-3-(3-bromo-4-methoxyphenyl)propanoate; oxalic acid Traditional Name: 3-amino-3-(3-bromo-4-methoxy-phenyl)propionic acid ethyl ester; oxalic acid Formula: C14H18BrNO7 MolecularWeight: 392.19922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=C(C=C1)OC)Br)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)CC(C1=CC(=C(C=C1)OC)Br)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16BrNO3.C2H2O4/c1-3-17-12(15)7-10(14)8-4-5-11(16-2)9(13)6-8;3-1(4)2(5)6/h4-6,10H,3,7,14H2,1-2H3;(H,3,4)(H,5,6)