ethanedioic acid; 1-[4-(2-prop-2-enylphenoxy)butyl]azepane

Systemtic Name: ethanedioic acid; 1-[4-(2-prop-2-enylphenoxy)butyl]azepane Openeye Name: 1-[4-(2-allylphenoxy)butyl]azepane; oxalic acid CAS Name: oxalic acid; 1-[4-(2-prop-2-enylphenoxy)butyl]azepane IUPAC Name: oxalic acid; 1-[4-(2-prop-2-enylphenoxy)butyl]azepane Traditional Name: 1-[4-(2-allylphenoxy)butyl]azepane; oxalic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCC1=CC=CC=C1OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29NO.C2H2O4/c1-2-11-18-12-5-6-13-19(18)21-17-10-9-16-20-14-7-3-4-8-15-20;3-1(4)2(5)6/h2,5-6,12-13H,1,3-4,7-11,14-17H2;(H,3,4)(H,5,6)