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1-[3-(2-butan-2-ylphenoxy)propyl]azepane; ethanedioic acid

1-[3-(2-butan-2-ylphenoxy)propyl]azepane; ethanedioic acid

Systemtic Name:1-[3-(2-butan-2-ylphenoxy)propyl]azepane; ethanedioic acid
Openeye Name:oxalic acid; 1-[3-(2-sec-butylphenoxy)propyl]azepane
CAS Name:1-[3-(2-butan-2-ylphenoxy)propyl]azepane; oxalic acid
IUPAC Name:1-[3-(2-butan-2-ylphenoxy)propyl]azepane; oxalic acid
Traditional Name:oxalic acid; 1-[3-(2-sec-butylphenoxy)propyl]azepane
Formula: C21H33NO5
MolecularWeight: 379.49042
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCCN2CCCCCC2.C(=O)(C(=O)O)O


Isomeric SMILES

CCC(C)C1=CC=CC=C1OCCCN2CCCCCC2.C(=O)(C(=O)O)O


InChI

InChI=1S/C19H31NO.C2H2O4/c1-3-17(2)18-11-6-7-12-19(18)21-16-10-15-20-13-8-4-5-9-14-20;3-1(4)2(5)6/h6-7,11-12,17H,3-5,8-10,13-16H2,1-2H3;(H,3,4)(H,5,6)


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