[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (3R)-6-chlorochromane-3-carboxylate CAS Name: (3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3R)-6-chlorochroman-3-carboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@@H]2CC3=C(C=CC(=C3)Cl)OC2)C

InChI

InChI=1S/C21H22ClNO4/c1-3-14-6-4-5-13(2)20(14)23-19(24)12-27-21(25)16-9-15-10-17(22)7-8-18(15)26-11-16/h4-8,10,16H,3,9,11-12H2,1-2H3,(H,23,24)/t16-/m1/s1