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1-[3-(2,4-dimethylphenoxy)propyl]azepane; ethanedioic acid

1-[3-(2,4-dimethylphenoxy)propyl]azepane; ethanedioic acid

Systemtic Name:1-[3-(2,4-dimethylphenoxy)propyl]azepane; ethanedioic acid
Openeye Name:1-[3-(2,4-dimethylphenoxy)propyl]azepane; oxalic acid
CAS Name:1-[3-(2,4-dimethylphenoxy)propyl]azepane; oxalic acid
IUPAC Name:1-[3-(2,4-dimethylphenoxy)propyl]azepane; oxalic acid
Traditional Name:1-[3-(2,4-dimethylphenoxy)propyl]azepane; oxalic acid
Formula: C19H29NO5
MolecularWeight: 351.43726
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H27NO.C2H2O4/c1-15-8-9-17(16(2)14-15)19-13-7-12-18-10-5-3-4-6-11-18;3-1(4)2(5)6/h8-9,14H,3-7,10-13H2,1-2H3;(H,3,4)(H,5,6)


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