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

Systemtic Name: methyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylate Openeye Name: methyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(2-pyridyl)ethyl]pyrrolidine-3-carboxylate CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(2-pyridinyl)ethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylate Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(2-pyridyl)ethyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CNC1CCC2=CC=CC=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)[C@@H]1[C@H](CN[C@H]1CCC2=CC=CC=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O4/c1-24-20(23)19-15(13-5-8-17-18(10-13)26-12-25-17)11-22-16(19)7-6-14-4-2-3-9-21-14/h2-5,8-10,15-16,19,22H,6-7,11-12H2,1H3/t15-,16+,19-/m1/s1