(1R,2S)-2-azanyl-1-(4-bromanyl-2,5-dimethoxy-phenyl)butan-1-ol; ethanedioic acid

Systemtic Name: (1R,2S)-2-azanyl-1-(4-bromanyl-2,5-dimethoxy-phenyl)butan-1-ol; ethanedioic acid Openeye Name: (1R,2S)-2-amino-1-(4-bromo-2,5-dimethoxy-phenyl)butan-1-ol; oxalic acid CAS Name: (1R,2S)-2-amino-1-(4-bromo-2,5-dimethoxyphenyl)-1-butanol; oxalic acid IUPAC Name: (1R,2S)-2-amino-1-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol; oxalic acid Traditional Name: (1R,2S)-2-amino-1-(4-bromo-2,5-dimethoxy-phenyl)butan-1-ol; oxalic acid Formula: C14H20BrNO7 MolecularWeight: 394.2151

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC(=C(C=C1OC)Br)OC)O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC(=C(C=C1OC)Br)OC)O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18BrNO3.C2H2O4/c1-4-9(14)12(15)7-5-11(17-3)8(13)6-10(7)16-2;3-1(4)2(5)6/h5-6,9,12,15H,4,14H2,1-3H3;(H,3,4)(H,5,6)/t9-,12+;/m0./s1