ethanedioic acid; 1-[4-(4-propan-2-ylphenoxy)butyl]azepane

Systemtic Name: ethanedioic acid; 1-[4-(4-propan-2-ylphenoxy)butyl]azepane Openeye Name: 1-[4-(4-isopropylphenoxy)butyl]azepane; oxalic acid CAS Name: oxalic acid; 1-[4-(4-propan-2-ylphenoxy)butyl]azepane IUPAC Name: oxalic acid; 1-[4-(4-propan-2-ylphenoxy)butyl]azepane Traditional Name: 1-[4-(4-isopropylphenoxy)butyl]azepane; oxalic acid Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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