1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; oxalic acid CAS Name: 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[3-(1-imidazolyl)propylamino]-2-propanol; oxalic acid IUPAC Name: 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; oxalic acid Traditional Name: 1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; oxalic acid Formula: C21H30ClN3O6 MolecularWeight: 455.9324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CNCCCN2C=CN=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CNCCCN2C=CN=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28ClN3O2.C2H2O4/c1-14(2)17-10-18(20)15(3)9-19(17)25-12-16(24)11-21-5-4-7-23-8-6-22-13-23;3-1(4)2(5)6/h6,8-10,13-14,16,21,24H,4-5,7,11-12H2,1-3H3;(H,3,4)(H,5,6)