ethyl 4-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1C2=CC(=C(C=C2)OC)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1C(CNC1C2=CC(=C(C=C2)OC)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22FNO5/c1-3-26-21(24)19-14(12-4-7-17-18(9-12)28-11-27-17)10-23-20(19)13-5-6-16(25-2)15(22)8-13/h4-9,14,19-20,23H,3,10-11H2,1-2H3