ethanedioic acid; 1-[4-(5-methyl-2-propan-2-yl-phenoxy)butyl]azepane

Systemtic Name: ethanedioic acid; 1-[4-(5-methyl-2-propan-2-yl-phenoxy)butyl]azepane Openeye Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)butyl]azepane; oxalic acid CAS Name: 1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]azepane; oxalic acid IUPAC Name: 1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]azepane; oxalic acid Traditional Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)butyl]azepane; oxalic acid Formula: C22H35NO5 MolecularWeight: 393.517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H33NO.C2H2O4/c1-17(2)19-11-10-18(3)16-20(19)22-15-9-8-14-21-12-6-4-5-7-13-21;3-1(4)2(5)6/h10-11,16-17H,4-9,12-15H2,1-3H3;(H,3,4)(H,5,6)