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

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: (5-phenyloxazol-2-yl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (5-phenyloxazol-2-yl)methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO5/c22-16-9-14(10-17-21(16)26-8-4-7-25-17)11-20(24)27-13-19-23-12-18(28-19)15-5-2-1-3-6-15/h1-3,5-6,9-10,12H,4,7-8,11,13H2