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

Systemtic Name: ethanedioic acid; 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]azepane Openeye Name: 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]azepane; oxalic acid CAS Name: 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]azepane; oxalic acid IUPAC Name: 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]azepane; oxalic acid Traditional Name: 1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]azepane; oxalic acid Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCN2CCCCCC2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCN2CCCCCC2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO2.C2H2O4/c1-3-8-16-9-10-17(18(15-16)20-2)21-14-13-19-11-6-4-5-7-12-19;3-1(4)2(5)6/h3,8-10,15H,4-7,11-14H2,1-2H3;(H,3,4)(H,5,6)/b8-3+;