cyclohexyl (4R,4aS,7S)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl (4R,4aS,7S)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4R,4aS,7S)-2-methyl-5-oxo-7-phenyl-4-(2-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,4aS,7S)-2-methyl-5-oxo-7-phenyl-4-(2-pyridinyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,4aS,7S)-2-methyl-5-oxo-7-phenyl-4-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,4aS,7S)-5-keto-2-methyl-7-phenyl-4-(2-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=N4)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)C[C@@H](CC2=O)C3=CC=CC=C3)C4=CC=CC=N4)C(=O)OC5CCCCC5

InChI

InChI=1S/C28H30N2O3/c1-18-25(28(32)33-21-12-6-3-7-13-21)27(22-14-8-9-15-29-22)26-23(30-18)16-20(17-24(26)31)19-10-4-2-5-11-19/h2,4-5,8-11,14-15,20-21,26-27H,3,6-7,12-13,16-17H2,1H3/t20-,26-,27-/m0/s1