ethanoic acid; 6-[2-(4-phenylbutan-2-ylamino)ethyl]naphthalene-2,3-diol; hydrobromide

Systemtic Name: ethanoic acid; 6-[2-(4-phenylbutan-2-ylamino)ethyl]naphthalene-2,3-diol; hydrobromide Openeye Name: acetic acid; 6-[2-[(1-methyl-3-phenyl-propyl)amino]ethyl]naphthalene-2,3-diol; hydrobromide CAS Name: acetic acid; 6-[2-(4-phenylbutan-2-ylamino)ethyl]naphthalene-2,3-diol; hydrobromide IUPAC Name: acetic acid; 6-[2-(4-phenylbutan-2-ylamino)ethyl]naphthalene-2,3-diol; hydrobromide Traditional Name: acetic acid; 6-[2-[(1-methyl-3-phenyl-propyl)amino]ethyl]naphthalene-2,3-diol; hydrobromide Formula: C26H34BrNO6 MolecularWeight: 536.45526

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCCC2=CC3=CC(=C(C=C3C=C2)O)O.CC(=O)O.CC(=O)O.Br

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCCC2=CC3=CC(=C(C=C3C=C2)O)O.CC(=O)O.CC(=O)O.Br

InChI

InChI=1S/C22H25NO2.2C2H4O2.BrH/c1-16(7-8-17-5-3-2-4-6-17)23-12-11-18-9-10-19-14-21(24)22(25)15-20(19)13-18;2*1-2(3)4;/h2-6,9-10,13-16,23-25H,7-8,11-12H2,1H3;2*1H3,(H,3,4);1H