1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol; ethanedioic acid Openeye Name: 1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol; oxalic acid CAS Name: 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[(2,3-dimethylcyclohexyl)amino]-2-propanol; oxalic acid IUPAC Name: 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol; oxalic acid Traditional Name: 1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol; oxalic acid Formula: C23H36ClNO6 MolecularWeight: 457.98804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NCC(COC2=C(C=C(C(=C2)C)Cl)C(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1C)NCC(COC2=C(C=C(C(=C2)C)Cl)C(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H34ClNO2.C2H2O4/c1-13(2)18-10-19(22)15(4)9-21(18)25-12-17(24)11-23-20-8-6-7-14(3)16(20)5;3-1(4)2(5)6/h9-10,13-14,16-17,20,23-24H,6-8,11-12H2,1-5H3;(H,3,4)(H,5,6)