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N-[3-(dimethylamino)propyl]docosanamide; docosanoic acid

N-[3-(dimethylamino)propyl]docosanamide; docosanoic acid

Systemtic Name:N-[3-(dimethylamino)propyl]docosanamide; docosanoic acid
Openeye Name:N-[3-(dimethylamino)propyl]docosanamide; docosanoic acid
CAS Name:N-[3-(dimethylamino)propyl]docosanamide; docosanoic acid
IUPAC Name:N-[3-(dimethylamino)propyl]docosanamide; docosanoic acid
Traditional Name:behenic acid; N-[3-(dimethylamino)propyl]behenamide
Formula: C49H100N2O3
MolecularWeight: 765.3299
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)O


InChI

InChI=1S/C27H56N2O.C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h4-26H2,1-3H3,(H,28,30);2-21H2,1H3,(H,23,24)


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