ethanedioic acid; 1-[4-(3-propan-2-yloxyphenoxy)butyl]azepane

Systemtic Name: ethanedioic acid; 1-[4-(3-propan-2-yloxyphenoxy)butyl]azepane Openeye Name: 1-[4-(3-isopropoxyphenoxy)butyl]azepane; oxalic acid CAS Name: oxalic acid; 1-[4-(3-propan-2-yloxyphenoxy)butyl]azepane IUPAC Name: oxalic acid; 1-[4-(3-propan-2-yloxyphenoxy)butyl]azepane Traditional Name: 1-[4-(3-isopropoxyphenoxy)butyl]azepane; oxalic acid Formula: C21H33NO6 MolecularWeight: 395.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31NO2.C2H2O4/c1-17(2)22-19-11-9-10-18(16-19)21-15-8-7-14-20-12-5-3-4-6-13-20;3-1(4)2(5)6/h9-11,16-17H,3-8,12-15H2,1-2H3;(H,3,4)(H,5,6)