cycloheptyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cycloheptyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cycloheptyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,4aR)-4-(3-hydroxyphenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=CC=C3)O)C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C([C@H]([C@@H]2C(=N1)CCCC2=O)C3=CC(=CC=C3)O)C(=O)OC4CCCCCC4

InChI

InChI=1S/C24H29NO4/c1-15-21(24(28)29-18-10-4-2-3-5-11-18)22(16-8-6-9-17(26)14-16)23-19(25-15)12-7-13-20(23)27/h6,8-9,14,18,22-23,26H,2-5,7,10-13H2,1H3/t22-,23-/m1/s1