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

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H22ClNO5/c1-3-26-18-7-5-17(6-8-18)23-20(24)13(2)28-21(25)15-10-14-11-16(22)4-9-19(14)27-12-15/h4-9,11,13,15H,3,10,12H2,1-2H3,(H,23,24)