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

Systemtic Name: 1-[6-chloranyl-2-(1-imidazol-1-ylethenyl)-3-methyl-phenoxy]-3-(propan-2-ylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-[6-chloro-2-(1-imidazol-1-ylvinyl)-3-methyl-phenoxy]-3-(isopropylamino)propan-2-ol; oxalic acid CAS Name: 1-[6-chloro-2-[1-(1-imidazolyl)ethenyl]-3-methylphenoxy]-3-(propan-2-ylamino)-2-propanol; oxalic acid IUPAC Name: 1-[6-chloro-2-(1-imidazol-1-ylethenyl)-3-methylphenoxy]-3-(propan-2-ylamino)propan-2-ol; oxalic acid Traditional Name: 1-[6-chloro-2-(1-imidazol-1-ylvinyl)-3-methyl-phenoxy]-3-(isopropylamino)propan-2-ol; oxalic acid Formula: C64H82Cl3N9O26 MolecularWeight: 1499.73958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H24ClN3O2.5C2H2O4/c3*1-12(2)21-9-15(23)10-24-18-16(19)6-5-13(3)17(18)14(4)22-8-7-20-11-22;5*3-1(4)2(5)6/h3*5-8,11-12,15,21,23H,4,9-10H2,1-3H3;5*(H,3,4)(H,5,6)