methyl (3S,4R)-4-(2-chloranyl-5,7-dimethyl-quinolin-3-yl)-1-methyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(2-chloranyl-5,7-dimethyl-quinolin-3-yl)-1-methyl-pyrrolidine-3-carboxylate Openeye Name: methyl (3S,4R)-4-(2-chloro-5,7-dimethyl-3-quinolyl)-1-methyl-pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(2-chloro-5,7-dimethyl-3-quinolinyl)-1-methyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(2-chloro-5,7-dimethylquinolin-3-yl)-1-methylpyrrolidine-3-carboxylate Traditional Name: (3S,4R)-4-(2-chloro-5,7-dimethyl-3-quinolyl)-1-methyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C(=C1)C)C3CN(CC3C(=O)OC)C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C(=C1)C)[C@@H]3CN(C[C@H]3C(=O)OC)C)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-10-5-11(2)12-7-13(17(19)20-16(12)6-10)14-8-21(3)9-15(14)18(22)23-4/h5-7,14-15H,8-9H2,1-4H3/t14-,15+/m0/s1