O1-tert-butyl O3-ethyl 4-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)pyrrolidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-ethyl 4-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)pyrrolidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-ethyl 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)pyrrolidine-1,3-dicarboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester IUPAC Name: 1-O-tert-butyl 3-O-ethyl 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)pyrrolidine-1,3-dicarboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester Formula: C26H30FNO7 MolecularWeight: 487.517303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CN(C1C2=CC(=C(C=C2)OC)F)C(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1C(CN(C1C2=CC(=C(C=C2)OC)F)C(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H30FNO7/c1-6-32-24(29)22-17(15-7-10-20-21(12-15)34-14-33-20)13-28(25(30)35-26(2,3)4)23(22)16-8-9-19(31-5)18(27)11-16/h7-12,17,22-23H,6,13-14H2,1-5H3