ethanedioic acid; 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]azepane

Systemtic Name: ethanedioic acid; 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]azepane Openeye Name: 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]azepane; oxalic acid CAS Name: 1-[4-(2-methoxy-4-methylphenoxy)butyl]azepane; oxalic acid IUPAC Name: 1-[4-(2-methoxy-4-methylphenoxy)butyl]azepane; oxalic acid Traditional Name: 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]azepane; oxalic acid Formula: C20H31NO6 MolecularWeight: 381.46324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2.C2H2O4/c1-16-9-10-17(18(15-16)20-2)21-14-8-7-13-19-11-5-3-4-6-12-19;3-1(4)2(5)6/h9-10,15H,3-8,11-14H2,1-2H3;(H,3,4)(H,5,6)