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

Systemtic Name: ethanedioic acid; 1-[2-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethoxy]ethyl]azepane Openeye Name: 1-[2-[2-(4-allyl-2-methoxy-phenoxy)ethoxy]ethyl]azepane; oxalic acid CAS Name: 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]azepane; oxalic acid IUPAC Name: 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]azepane; oxalic acid Traditional Name: 1-[2-[2-(4-allyl-2-methoxy-phenoxy)ethoxy]ethyl]azepane; oxalic acid Formula: C22H33NO7 MolecularWeight: 423.49992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCCOCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCCOCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H31NO3.C2H2O4/c1-3-8-18-9-10-19(20(17-18)22-2)24-16-15-23-14-13-21-11-6-4-5-7-12-21;3-1(4)2(5)6/h3,9-10,17H,1,4-8,11-16H2,2H3;(H,3,4)(H,5,6)