ethanedioic acid; 1-[3-(4-ethylphenoxy)propyl]azepane

Systemtic Name: ethanedioic acid; 1-[3-(4-ethylphenoxy)propyl]azepane Openeye Name: 1-[3-(4-ethylphenoxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(4-ethylphenoxy)propyl]azepane; oxalic acid IUPAC Name: 1-[3-(4-ethylphenoxy)propyl]azepane; oxalic acid Traditional Name: 1-[3-(4-ethylphenoxy)propyl]azepane; oxalic acid Formula: C19H29NO5 MolecularWeight: 351.43726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27NO.C2H2O4/c1-2-16-8-10-17(11-9-16)19-15-7-14-18-12-5-3-4-6-13-18;3-1(4)2(5)6/h8-11H,2-7,12-15H2,1H3;(H,3,4)(H,5,6)