1-[4-chloranyl-2-(1-imidazol-1-ylethenyl)-6-methyl-phenoxy]-3-(propan-2-ylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[4-chloranyl-2-(1-imidazol-1-ylethenyl)-6-methyl-phenoxy]-3-(propan-2-ylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-[4-chloro-2-(1-imidazol-1-ylvinyl)-6-methyl-phenoxy]-3-(isopropylamino)propan-2-ol; oxalic acid CAS Name: 1-[4-chloro-2-[1-(1-imidazolyl)ethenyl]-6-methylphenoxy]-3-(propan-2-ylamino)-2-propanol; oxalic acid IUPAC Name: 1-[4-chloro-2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]-3-(propan-2-ylamino)propan-2-ol; oxalic acid Traditional Name: 1-[4-chloro-2-(1-imidazol-1-ylvinyl)-6-methyl-phenoxy]-3-(isopropylamino)propan-2-ol; oxalic acid Formula: C22H28ClN3O10 MolecularWeight: 529.92482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Cl)C(=C)N2C=CN=C2)OCC(CNC(C)C)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)Cl)C(=C)N2C=CN=C2)OCC(CNC(C)C)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24ClN3O2.2C2H2O4/c1-12(2)21-9-16(23)10-24-18-13(3)7-15(19)8-17(18)14(4)22-6-5-20-11-22;2*3-1(4)2(5)6/h5-8,11-12,16,21,23H,4,9-10H2,1-3H3;2*(H,3,4)(H,5,6)