1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: 1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O5/c1-13-5-3-6-15(11-13)20-23-22-19(28-20)14(2)27-21(24)16-7-8-17-18(12-16)26-10-4-9-25-17/h3,5-8,11-12,14H,4,9-10H2,1-2H3