1-[2-(4-chloranyl-2-prop-2-enyl-phenoxy)ethyl]azepane; ethanedioic acid

Systemtic Name: 1-[2-(4-chloranyl-2-prop-2-enyl-phenoxy)ethyl]azepane; ethanedioic acid Openeye Name: 1-[2-(2-allyl-4-chloro-phenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(4-chloro-2-prop-2-enylphenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(4-chloro-2-prop-2-enylphenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(2-allyl-4-chloro-phenoxy)ethyl]azepane; oxalic acid Formula: C19H26ClNO5 MolecularWeight: 383.86644

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)Cl)OCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCC1=C(C=CC(=C1)Cl)OCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24ClNO.C2H2O4/c1-2-7-15-14-16(18)8-9-17(15)20-13-12-19-10-5-3-4-6-11-19;3-1(4)2(5)6/h2,8-9,14H,1,3-7,10-13H2;(H,3,4)(H,5,6)