1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H19ClN2O4/c1-12-3-5-14(6-4-12)20-24-23-19(28-20)13(2)27-21(25)16-9-15-10-17(22)7-8-18(15)26-11-16/h3-8,10,13,16H,9,11H2,1-2H3