[2-(2-dimethylaminoethyloxycarbonylamino)-3-tetradecoxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-(2-dimethylaminoethyloxycarbonylamino)-3-tetradecoxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(2-dimethylaminoethyloxycarbonylamino)-3-tetradecoxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[[2-dimethylaminoethyloxy(oxo)methyl]amino]-3-tetradecoxypropyl] ester IUPAC Name: [2-(2-dimethylaminoethyloxycarbonylamino)-3-tetradecoxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-(2-dimethylaminoethyloxycarbonylamino)-3-myristyloxy-propyl] ester Formula: C40H78N2O5 MolecularWeight: 667.05772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCC=CCCCCCCCC)NC(=O)OCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)NC(=O)OCCN(C)C

InChI

InChI=1S/C40H78N2O5/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-39(43)47-37-38(41-40(44)46-35-33-42(3)4)36-45-34-31-29-27-25-23-18-16-14-12-10-8-6-2/h19-20,38H,5-18,21-37H2,1-4H3,(H,41,44)/b20-19+