tert-butyl (2S)-1-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[2-(7-methoxy-2-oxo-chromen-4-yl)acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-(7-methoxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[2-(7-methoxy-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(2-keto-7-methoxy-chromen-4-yl)acetyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H25NO6/c1-21(2,3)28-20(25)16-6-5-9-22(16)18(23)10-13-11-19(24)27-17-12-14(26-4)7-8-15(13)17/h7-8,11-12,16H,5-6,9-10H2,1-4H3/t16-/m0/s1