ethanedioic acid; 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepane

Systemtic Name: ethanedioic acid; 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepane Openeye Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepane; oxalic acid CAS Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepane; oxalic acid IUPAC Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepane; oxalic acid Traditional Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepane; oxalic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCCN2CCCCCC2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCCN2CCCCCC2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29NO2.C2H2O4/c1-3-9-17-10-11-18(19(16-17)21-2)22-15-8-14-20-12-6-4-5-7-13-20;3-1(4)2(5)6/h3,9-11,16H,4-8,12-15H2,1-2H3;(H,3,4)(H,5,6)/b9-3+;