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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-methyl-2-phenyl-oxazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-oxazolecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-oxazole-4-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H18ClNO5/c1-13-18(23-20(28-13)15-6-3-2-4-7-15)21(24)27-12-14-10-16(22)19-17(11-14)25-8-5-9-26-19/h2-4,6-7,10-11H,5,8-9,12H2,1H3