1-(3,4-diethylpyrrolidin-1-yl)undecyl 3-[4-(4-undecoxyphenyl)phenyl]propanoate

Systemtic Name: 1-(3,4-diethylpyrrolidin-1-yl)undecyl 3-[4-(4-undecoxyphenyl)phenyl]propanoate Openeye Name: 1-(3,4-diethylpyrrolidin-1-yl)undecyl 3-[4-(4-undecoxyphenyl)phenyl]propanoate CAS Name: 3-[4-(4-undecoxyphenyl)phenyl]propanoic acid 1-(3,4-diethyl-1-pyrrolidinyl)undecyl ester IUPAC Name: 1-(3,4-diethylpyrrolidin-1-yl)undecyl 3-[4-(4-undecoxyphenyl)phenyl]propanoate Traditional Name: 3-[4-(4-undecoxyphenyl)phenyl]propionic acid 1-(3,4-diethylpyrrolidino)undecyl ester Formula: C45H73NO3 MolecularWeight: 676.06602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)OC(CCCCCCCCCC)N3CC(C(C3)CC)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)OC(CCCCCCCCCC)N3CC(C(C3)CC)CC

InChI

InChI=1S/C45H73NO3/c1-5-9-11-13-15-17-19-21-23-35-48-43-32-30-42(31-33-43)41-28-25-38(26-29-41)27-34-45(47)49-44(24-22-20-18-16-14-12-10-6-2)46-36-39(7-3)40(8-4)37-46/h25-26,28-33,39-40,44H,5-24,27,34-37H2,1-4H3