O1-tert-butyl O2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl] ester Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCCN3C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C21H24ClNO6/c1-12-8-17-14(10-15(12)22)13(9-18(24)28-17)11-27-19(25)16-6-5-7-23(16)20(26)29-21(2,3)4/h8-10,16H,5-7,11H2,1-4H3/t16-/m0/s1