[4-[2-[3-(3-acetyloxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]phenyl] ethanoate

Systemtic Name: [4-[2-[3-(3-acetyloxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]phenyl] ethanoate Openeye Name: [4-[2-[3-(3-acetoxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]phenyl] acetate CAS Name: acetic acid [4-[2-[3-(3-acetyloxyphenyl)-3-propyl-1-pyrrolidinyl]ethyl]phenyl] ester IUPAC Name: [4-[2-[3-(3-acetyloxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]phenyl] acetate Traditional Name: acetic acid [4-[2-[3-(3-acetoxyphenyl)-3-propyl-pyrrolidino]ethyl]phenyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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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)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-4-13-25(22-6-5-7-24(17-22)30-20(3)28)14-16-26(18-25)15-12-21-8-10-23(11-9-21)29-19(2)27/h5-11,17H,4,12-16,18H2,1-3H3