O1-tert-butyl O2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O2-(3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: 2-O-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O2-(3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester O1-tert-butyl ester Formula: C27H28ClNO6 MolecularWeight: 497.96732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCCN3C(=O)OC(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H28ClNO6/c1-16-18-14-20(28)23(15-22(18)33-24(30)19(16)13-17-9-6-5-7-10-17)34-25(31)21-11-8-12-29(21)26(32)35-27(2,3)4/h5-7,9-10,14-15,21H,8,11-13H2,1-4H3/t21-/m0/s1