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

Systemtic Name: 2-[[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]amino]butan-1-ol; ethanedioic acid Openeye Name: 2-[[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]amino]butan-1-ol; oxalic acid CAS Name: 2-[[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]amino]-1-butanol; oxalic acid IUPAC Name: 2-[[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]amino]butan-1-ol; oxalic acid Traditional Name: 2-[[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]amino]butan-1-ol; oxalic acid Formula: C19H30ClNO7 MolecularWeight: 419.897

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC(COC1=C(C=C(C(=C1)C)Cl)C(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CO)NCC(COC1=C(C=C(C(=C1)C)Cl)C(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28ClNO3.C2H2O4/c1-5-13(9-20)19-8-14(21)10-22-17-6-12(4)16(18)7-15(17)11(2)3;3-1(4)2(5)6/h6-7,11,13-14,19-21H,5,8-10H2,1-4H3;(H,3,4)(H,5,6)