O1-tert-butyl O3-methyl (3R,4S)-4-(2-chloranyl-5-methyl-pyridin-3-yl)pyrrolidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl (3R,4S)-4-(2-chloranyl-5-methyl-pyridin-3-yl)pyrrolidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl (3R,4S)-4-(2-chloro-5-methyl-3-pyridyl)pyrrolidine-1,3-dicarboxylate CAS Name: (3R,4S)-4-(2-chloro-5-methyl-3-pyridinyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl (3R,4S)-4-(2-chloro-5-methylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate Traditional Name: (3R,4S)-4-(2-chloro-5-methyl-3-pyridyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1)C2CN(CC2C(=O)OC)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=CN=C(C(=C1)[C@H]2CN(C[C@@H]2C(=O)OC)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C17H23ClN2O4/c1-10-6-11(14(18)19-7-10)12-8-20(9-13(12)15(21)23-5)16(22)24-17(2,3)4/h6-7,12-13H,8-9H2,1-5H3/t12-,13+/m1/s1