[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-keto-2-[3-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)COC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H20ClNO5/c23-17-6-7-20-15(10-17)9-16(12-28-20)22(27)29-13-19(25)14-3-1-4-18(11-14)24-8-2-5-21(24)26/h1,3-4,6-7,10-11,16H,2,5,8-9,12-13H2/t16-/m0/s1