ethanedioic acid; 1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]azepane

Systemtic Name: ethanedioic acid; 1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]azepane Openeye Name: 1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]azepane; oxalic acid Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO.C2H2O4/c1-15(2)17-9-8-16(3)14-18(17)20-13-12-19-10-6-4-5-7-11-19;3-1(4)2(5)6/h8-9,14-15H,4-7,10-13H2,1-3H3;(H,3,4)(H,5,6)