methyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: methyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2)C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C20H21NO5/c1-23-14-6-3-12(4-7-14)19-18(20(22)24-2)15(10-21-19)13-5-8-16-17(9-13)26-11-25-16/h3-9,15,18-19,21H,10-11H2,1-2H3/t15-,18-,19+/m1/s1