ethyl 5-methyl-2,7-diphenyl-oxepine-4-carboxylate

Systemtic Name: ethyl 5-methyl-2,7-diphenyl-oxepine-4-carboxylate Openeye Name: ethyl 5-methyl-2,7-diphenyl-oxepine-4-carboxylate CAS Name: 5-methyl-2,7-diphenyl-4-oxepincarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2,7-diphenyloxepine-4-carboxylate Traditional Name: 5-methyl-2,7-diphenyl-oxepin-4-carboxylic acid ethyl ester Formula: C22H20O3 MolecularWeight: 332.3924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20O3/c1-3-24-22(23)19-15-21(18-12-8-5-9-13-18)25-20(14-16(19)2)17-10-6-4-7-11-17/h4-15H,3H2,1-2H3