ethanoic acid; [4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]phenyl] ethanoate

Systemtic Name: ethanoic acid; [4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]phenyl] ethanoate Openeye Name: acetic acid; [4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]phenyl] acetate CAS Name: acetic acid; acetic acid [4-[2-[3-(3-hydroxyphenyl)-3-propyl-1-pyrrolidinyl]ethyl]phenyl] ester IUPAC Name: acetic acid; [4-[2-[3-(3-hydroxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]phenyl] acetate Traditional Name: acetic acid; acetic acid [4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidino]ethyl]phenyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCN(C1)CCC2=CC=C(C=C2)OC(=O)C)C3=CC(=CC=C3)O.CC(=O)O

Isomeric SMILES

CCCC1(CCN(C1)CCC2=CC=C(C=C2)OC(=O)C)C3=CC(=CC=C3)O.CC(=O)O

InChI

InChI=1S/C23H29NO3.C2H4O2/c1-3-12-23(20-5-4-6-21(26)16-20)13-15-24(17-23)14-11-19-7-9-22(10-8-19)27-18(2)25;1-2(3)4/h4-10,16,26H,3,11-15,17H2,1-2H3;1H3,(H,3,4)