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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H22ClNO4/c1-14(20(24)23-10-9-15-5-3-2-4-6-15)27-21(25)17-11-16-12-18(22)7-8-19(16)26-13-17/h2-8,12,14,17H,9-11,13H2,1H3,(H,23,24)