ethyl 7-methoxy-6-oxidanylidene-2,5-diphenyl-azepine-3-carboxylate

Systemtic Name: ethyl 7-methoxy-6-oxidanylidene-2,5-diphenyl-azepine-3-carboxylate Openeye Name: ethyl 7-methoxy-6-oxo-2,5-diphenyl-azepine-3-carboxylate CAS Name: 7-methoxy-6-oxo-2,5-diphenyl-3-azepinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-methoxy-6-oxo-2,5-diphenylazepine-3-carboxylate Traditional Name: 6-keto-7-methoxy-2,5-diphenyl-azepine-3-carboxylic acid ethyl ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4/c1-3-27-22(25)18-14-17(15-10-6-4-7-11-15)20(24)21(26-2)23-19(18)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3