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

Systemtic Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methyl-phenoxy]propan-2-ol; ethanedioic acid Openeye Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylvinyl)-6-methyl-phenoxy]propan-2-ol; oxalic acid CAS Name: 1-(tert-butylamino)-3-[2-[1-(1-imidazolyl)ethenyl]-6-methylphenoxy]-2-propanol; oxalic acid IUPAC Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol; oxalic acid Traditional Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylvinyl)-6-methyl-phenoxy]propan-2-ol; oxalic acid Formula: C21H29N3O6 MolecularWeight: 419.47146

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2.C2H2O4/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)