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

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H20ClNO4/c22-17-7-8-19-15(11-17)10-16(12-26-19)21(25)27-13-20(24)23-9-3-5-14-4-1-2-6-18(14)23/h1-2,4,6-8,11,16H,3,5,9-10,12-13H2/t16-/m0/s1