ethyl 4-(1,3-benzodioxol-5-yl)-2-[3,4-bis(fluoranyl)phenyl]-1-[2-(propylamino)ethyl]pyrrolidine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-[3,4-bis(fluoranyl)phenyl]-1-[2-(propylamino)ethyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-1-[2-(propylamino)ethyl]pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-1-[2-(propylamino)ethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-1-[2-(propylamino)ethyl]pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(3,4-difluorophenyl)-1-[2-(propylamino)ethyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C25H30F2N2O4 MolecularWeight: 460.513506

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCN1CC(C(C1C2=CC(=C(C=C2)F)F)C(=O)OCC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCNCCN1CC(C(C1C2=CC(=C(C=C2)F)F)C(=O)OCC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H30F2N2O4/c1-3-9-28-10-11-29-14-18(16-6-8-21-22(13-16)33-15-32-21)23(25(30)31-4-2)24(29)17-5-7-19(26)20(27)12-17/h5-8,12-13,18,23-24,28H,3-4,9-11,14-15H2,1-2H3