[(2R)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [(1R)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [(1R)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C22H24ClNO4/c1-13(2)18-6-4-5-7-19(18)24-21(25)14(3)28-22(26)16-10-15-11-17(23)8-9-20(15)27-12-16/h4-9,11,13-14,16H,10,12H2,1-3H3,(H,24,25)/t14-,16+/m1/s1