1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methyl-phenoxy]propan-2-ol; ethanedioic acid; hydrate

Systemtic Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methyl-phenoxy]propan-2-ol; ethanedioic acid; hydrate Openeye Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylvinyl)-6-methyl-phenoxy]propan-2-ol; oxalic acid; hydrate CAS Name: 1-(tert-butylamino)-3-[2-[1-(1-imidazolyl)ethenyl]-6-methylphenoxy]-2-propanol; oxalic acid; hydrate IUPAC Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol; oxalic acid; hydrate Traditional Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylvinyl)-6-methyl-phenoxy]propan-2-ol; oxalic acid; hydrate Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OCC(CNC(C)(C)C)O)C(=C)N2C=CN=C2.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC1=CC=CC(=C1OCC(CNC(C)(C)C)O)C(=C)N2C=CN=C2.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C19H27N3O2.C2H2O4.H2O/c1-14-7-6-8-17(15(2)22-10-9-20-13-22)18(14)24-12-16(23)11-21-19(3,4)5;3-1(4)2(5)6;/h6-10,13,16,21,23H,2,11-12H2,1,3-5H3;(H,3,4)(H,5,6);1H2