O1-tert-butyl O3-ethyl (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-ethyl (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-ethyl (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylate CAS Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester IUPAC Name: 1-O-tert-butyl 3-O-ethyl (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylate Traditional Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester Formula: C26H31NO7 MolecularWeight: 469.52684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CN([C@@H]1C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H31NO7/c1-6-31-24(28)22-19(17-9-12-20-21(13-17)33-15-32-20)14-27(25(29)34-26(2,3)4)23(22)16-7-10-18(30-5)11-8-16/h7-13,19,22-23H,6,14-15H2,1-5H3/t19-,22+,23-/m1/s1