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

Systemtic Name: cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-hydroxyphenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-15-21(24(29)30-18-7-5-4-6-8-18)22(16-9-11-17(27)12-10-16)23-19(26-15)13-25(2,3)14-20(23)28/h9-13,18,22-23,26-27H,4-8,14H2,1-3H3