cyclohexyl 2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl 2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C25H31NO3/c1-16-21(24(28)29-18-12-8-5-9-13-18)22(17-10-6-4-7-11-17)23-19(26-16)14-25(2,3)15-20(23)27/h4,6-7,10-11,18,22,26H,5,8-9,12-15H2,1-3H3