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

Systemtic Name: ethanedioic acid; 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepane Openeye Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepane; oxalic acid CAS Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepane; oxalic acid IUPAC Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepane; oxalic acid Traditional Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepane; oxalic acid Formula: C22H33NO6 MolecularWeight: 407.50052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCCCN2CCCCCC2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCCCN2CCCCCC2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H31NO2.C2H2O4/c1-3-10-18-11-12-19(20(17-18)22-2)23-16-9-8-15-21-13-6-4-5-7-14-21;3-1(4)2(5)6/h3,10-12,17H,4-9,13-16H2,1-2H3;(H,3,4)(H,5,6)/b10-3+;