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

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C22H24ClNO4/c1-3-14-6-5-7-15(4-2)21(14)24-20(25)13-28-22(26)17-10-16-11-18(23)8-9-19(16)27-12-17/h5-9,11,17H,3-4,10,12-13H2,1-2H3,(H,24,25)