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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2)C

InChI

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