(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H18ClNO4/c1-13-18(23-20(27-13)14-5-3-2-4-6-14)12-26-21(24)16-9-15-10-17(22)7-8-19(15)25-11-16/h2-8,10,16H,9,11-12H2,1H3