(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl (3S)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-furfuryl)-5-keto-pyrrolidine-3-carboxylic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3CC(=O)N(C3)CC4=CC=CO4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)[C@H]3CC(=O)N(C3)CC4=CC=CO4)Cl)C

InChI

InChI=1S/C22H21ClN2O4/c1-13-5-6-15-8-17(21(23)24-20(15)14(13)2)12-29-22(27)16-9-19(26)25(10-16)11-18-4-3-7-28-18/h3-8,16H,9-12H2,1-2H3/t16-/m0/s1