ethanedioic acid; 1-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]azepane

Systemtic Name: ethanedioic acid; 1-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]azepane Openeye Name: 1-[3-(2-isopropyl-5-methyl-phenoxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azepane; oxalic acid IUPAC Name: 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azepane; oxalic acid Traditional Name: 1-[3-(2-isopropyl-5-methyl-phenoxy)propyl]azepane; oxalic acid Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO.C2H2O4/c1-16(2)18-10-9-17(3)15-19(18)21-14-8-13-20-11-6-4-5-7-12-20;3-1(4)2(5)6/h9-10,15-16H,4-8,11-14H2,1-3H3;(H,3,4)(H,5,6)