2-dimethylaminoethyl N-[1,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-2-yl]carbamate

Systemtic Name: 2-dimethylaminoethyl N-[1,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-2-yl]carbamate Openeye Name: 2-dimethylaminoethyl N-[2-[(9E,12E)-octadeca-9,12-dienoxy]-1-[[(9E,12E)-octadeca-9,12-dienoxy]methyl]ethyl]carbamate CAS Name: N-[1,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-2-yl]carbamic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl N-[1,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-2-yl]carbamate Traditional Name: N-[2-[(9E,12E)-octadeca-9,12-dienoxy]-1-[[(9E,12E)-octadeca-9,12-dienoxy]methyl]ethyl]carbamic acid 2-dimethylaminoethyl ester Formula: C44H82N2O4 MolecularWeight: 703.13288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOCC(COCCCCCCCCC=CCC=CCCCCC)NC(=O)OCCN(C)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOCC(NC(=O)OCCN(C)C)COCCCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C44H82N2O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-48-41-43(45-44(47)50-40-37-46(3)4)42-49-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,43H,5-12,17-18,23-42H2,1-4H3,(H,45,47)/b15-13+,16-14+,21-19+,22-20+