[1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H22ClNO6/c1-12(20(24)23-17-10-16(26-2)5-7-19(17)27-3)29-21(25)14-8-13-9-15(22)4-6-18(13)28-11-14/h4-7,9-10,12,14H,8,11H2,1-3H3,(H,23,24)