cyclohexyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C25H30FNO3 MolecularWeight: 411.509003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=C3)F)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=C3)F)C(=O)OC4CCCCC4

InChI

InChI=1S/C25H30FNO3/c1-15-21(24(29)30-18-10-5-4-6-11-18)22(16-8-7-9-17(26)12-16)23-19(27-15)13-25(2,3)14-20(23)28/h7-9,12-13,18,22-23,27H,4-6,10-11,14H2,1-3H3