1-(azepan-1-yl)-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(azepan-1-yl)-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(azepan-1-yl)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol; oxalic acid CAS Name: 1-(1-azepanyl)-3-(5-methyl-2-propan-2-ylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-(azepan-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(azepan-1-yl)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol; oxalic acid Formula: C21H33NO6 MolecularWeight: 395.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCCCCC2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCCCCC2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31NO2.C2H2O4/c1-15(2)18-9-8-16(3)12-19(18)22-14-17(21)13-20-10-6-4-5-7-11-20;3-1(4)2(5)6/h8-9,12,15,17,21H,4-7,10-11,13-14H2,1-3H3;(H,3,4)(H,5,6)