11-(3,4-diethylpyrrolidin-1-yl)undecyl 3-[4-(4-undecoxyphenyl)phenyl]propanoate

Systemtic Name: 11-(3,4-diethylpyrrolidin-1-yl)undecyl 3-[4-(4-undecoxyphenyl)phenyl]propanoate Openeye Name: 11-(3,4-diethylpyrrolidin-1-yl)undecyl 3-[4-(4-undecoxyphenyl)phenyl]propanoate CAS Name: 3-[4-(4-undecoxyphenyl)phenyl]propanoic acid 11-(3,4-diethyl-1-pyrrolidinyl)undecyl ester IUPAC Name: 11-(3,4-diethylpyrrolidin-1-yl)undecyl 3-[4-(4-undecoxyphenyl)phenyl]propanoate Traditional Name: 3-[4-(4-undecoxyphenyl)phenyl]propionic acid 11-(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)OCCCCCCCCCCCN3CC(C(C3)CC)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)OCCCCCCCCCCCN3CC(C(C3)CC)CC

InChI

InChI=1S/C45H73NO3/c1-4-7-8-9-10-13-16-19-22-35-48-44-31-29-43(30-32-44)42-27-24-39(25-28-42)26-33-45(47)49-36-23-20-17-14-11-12-15-18-21-34-46-37-40(5-2)41(6-3)38-46/h24-25,27-32,40-41H,4-23,26,33-38H2,1-3H3