4-chloranyl-2-[5-(dimethylamino)-1-oxidanyl-2-phenyl-pentan-2-yl]phenol; ethanedioic acid

Systemtic Name: 4-chloranyl-2-[5-(dimethylamino)-1-oxidanyl-2-phenyl-pentan-2-yl]phenol; ethanedioic acid Openeye Name: 4-chloro-2-[4-(dimethylamino)-1-(hydroxymethyl)-1-phenyl-butyl]phenol; oxalic acid CAS Name: 4-chloro-2-[5-(dimethylamino)-1-hydroxy-2-phenylpentan-2-yl]phenol; oxalic acid IUPAC Name: 4-chloro-2-[5-(dimethylamino)-1-hydroxy-2-phenylpentan-2-yl]phenol; oxalic acid Traditional Name: 4-chloro-2-[4-(dimethylamino)-1-methylol-1-phenyl-butyl]phenol; oxalic acid Formula: C21H26ClNO6 MolecularWeight: 423.88724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(CO)(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCC(CO)(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24ClNO2.C2H2O4/c1-21(2)12-6-11-19(14-22,15-7-4-3-5-8-15)17-13-16(20)9-10-18(17)23;3-1(4)2(5)6/h3-5,7-10,13,22-23H,6,11-12,14H2,1-2H3;(H,3,4)(H,5,6)