1-[3-(2-tert-butyl-4-chloranyl-phenoxy)propylamino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-[3-(2-tert-butyl-4-chloranyl-phenoxy)propylamino]propan-2-ol; ethanedioic acid Openeye Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propylamino]propan-2-ol; oxalic acid CAS Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propylamino]-2-propanol; oxalic acid IUPAC Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propylamino]propan-2-ol; oxalic acid Traditional Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propylamino]propan-2-ol; oxalic acid Formula: C18H28ClNO6 MolecularWeight: 389.87102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCCOC1=C(C=C(C=C1)Cl)C(C)(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCCCOC1=C(C=C(C=C1)Cl)C(C)(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26ClNO2.C2H2O4/c1-12(19)11-18-8-5-9-20-15-7-6-13(17)10-14(15)16(2,3)4;3-1(4)2(5)6/h6-7,10,12,18-19H,5,8-9,11H2,1-4H3;(H,3,4)(H,5,6)