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

Systemtic Name: ethanedioic acid; 1-[2-(4-propan-2-yloxyphenoxy)ethyl]azepane Openeye Name: 1-[2-(4-isopropoxyphenoxy)ethyl]azepane; oxalic acid CAS Name: oxalic acid; 1-[2-(4-propan-2-yloxyphenoxy)ethyl]azepane IUPAC Name: oxalic acid; 1-[2-(4-propan-2-yloxyphenoxy)ethyl]azepane Traditional Name: 1-[2-(4-isopropoxyphenoxy)ethyl]azepane; oxalic acid Formula: C19H29NO6 MolecularWeight: 367.43666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)OCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)OCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27NO2.C2H2O4/c1-15(2)20-17-9-7-16(8-10-17)19-14-13-18-11-5-3-4-6-12-18;3-1(4)2(5)6/h7-10,15H,3-6,11-14H2,1-2H3;(H,3,4)(H,5,6)