ethyl 4-(4-chlorophenyl)carbonyl-5-morpholin-4-yl-bicyclo[4.1.0]hept-4-ene-7-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)carbonyl-5-morpholin-4-yl-bicyclo[4.1.0]hept-4-ene-7-carboxylate Openeye Name: ethyl 4-(4-chlorobenzoyl)-5-morpholino-bicyclo[4.1.0]hept-4-ene-7-carboxylate CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-5-(4-morpholinyl)-7-bicyclo[4.1.0]hept-4-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorobenzoyl)-5-morpholin-4-ylbicyclo[4.1.0]hept-4-ene-7-carboxylate Traditional Name: 4-(4-chlorobenzoyl)-5-morpholino-bicyclo[4.1.0]hept-4-ene-7-carboxylic acid ethyl ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2C1C(=C(CC2)C(=O)C3=CC=C(C=C3)Cl)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1C2C1C(=C(CC2)C(=O)C3=CC=C(C=C3)Cl)N4CCOCC4

InChI

InChI=1S/C21H24ClNO4/c1-2-27-21(25)18-15-7-8-16(20(24)13-3-5-14(22)6-4-13)19(17(15)18)23-9-11-26-12-10-23/h3-6,15,17-18H,2,7-12H2,1H3