ethanedioic acid; 1-[3-(2-prop-2-enylphenoxy)propyl]azepane

Systemtic Name: ethanedioic acid; 1-[3-(2-prop-2-enylphenoxy)propyl]azepane Openeye Name: 1-[3-(2-allylphenoxy)propyl]azepane; oxalic acid CAS Name: oxalic acid; 1-[3-(2-prop-2-enylphenoxy)propyl]azepane IUPAC Name: oxalic acid; 1-[3-(2-prop-2-enylphenoxy)propyl]azepane Traditional Name: 1-[3-(2-allylphenoxy)propyl]azepane; oxalic acid Formula: C20H29NO5 MolecularWeight: 363.44796

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCC1=CC=CC=C1OCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO.C2H2O4/c1-2-10-17-11-5-6-12-18(17)20-16-9-15-19-13-7-3-4-8-14-19;3-1(4)2(5)6/h2,5-6,11-12H,1,3-4,7-10,13-16H2;(H,3,4)(H,5,6)