[5-[2-(4-fluoranyl-2-phenethyl-phenoxy)ethyl]-1-methyl-pyrrolidin-3-yl] dodecanoate

Systemtic Name: [5-[2-(4-fluoranyl-2-phenethyl-phenoxy)ethyl]-1-methyl-pyrrolidin-3-yl] dodecanoate Openeye Name: [5-[2-(4-fluoro-2-phenethyl-phenoxy)ethyl]-1-methyl-pyrrolidin-3-yl] dodecanoate CAS Name: dodecanoic acid [5-[2-(4-fluoro-2-phenethylphenoxy)ethyl]-1-methyl-3-pyrrolidinyl] ester IUPAC Name: [5-[2-(4-fluoro-2-phenethylphenoxy)ethyl]-1-methylpyrrolidin-3-yl] dodecanoate Traditional Name: lauric acid [5-[2-(4-fluoro-2-phenethyl-phenoxy)ethyl]-1-methyl-pyrrolidin-3-yl] ester Formula: C33H48FNO3 MolecularWeight: 525.737523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CC(N(C1)C)CCOC2=C(C=C(C=C2)F)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1CC(N(C1)C)CCOC2=C(C=C(C=C2)F)CCC3=CC=CC=C3

InChI

InChI=1S/C33H48FNO3/c1-3-4-5-6-7-8-9-10-14-17-33(36)38-31-25-30(35(2)26-31)22-23-37-32-21-20-29(34)24-28(32)19-18-27-15-12-11-13-16-27/h11-13,15-16,20-21,24,30-31H,3-10,14,17-19,22-23,25-26H2,1-2H3