(5-phenyl-1,3-oxazol-2-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (5-phenyloxazol-2-yl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (5-phenyloxazol-2-yl)methyl ester Formula: C20H16ClNO5 MolecularWeight: 385.79774

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC3=NC=C(O3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC3=NC=C(O3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C20H16ClNO5/c21-15-9-14(10-16-19(15)25-8-4-7-24-16)20(23)26-12-18-22-11-17(27-18)13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2