cyclohexyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C28H37NO4/c1-5-15-32-23-14-10-9-13-20(23)25-24(27(31)33-19-11-7-6-8-12-19)18(2)29-21-16-28(3,4)17-22(30)26(21)25/h9-10,13-14,19,25-26H,5-8,11-12,15-17H2,1-4H3/t25-,26?/m1/s1