methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(o-tolyl)-4-(3-pyridylmethylcarbamoyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-[oxo-(3-pyridinylmethylamino)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S,5R)-1,2-dimethyl-5-(o-tolyl)-4-(3-pyridylmethylcarbamoyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(CC(N2C)(C)C(=O)OC)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1[C@H]2[C@H](C[C@@](N2C)(C)C(=O)OC)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-15-8-5-6-10-17(15)19-18(12-22(2,25(19)3)21(27)28-4)20(26)24-14-16-9-7-11-23-13-16/h5-11,13,18-19H,12,14H2,1-4H3,(H,24,26)/t18-,19-,22-/m0/s1