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

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H22ClNO5/c1-13(20(24)23-11-14-3-6-18(26-2)7-4-14)28-21(25)16-9-15-10-17(22)5-8-19(15)27-12-16/h3-8,10,13,16H,9,11-12H2,1-2H3,(H,23,24)/t13-,16-/m0/s1