[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (4S)-2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (4S)-2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (4S)-2,6-dimethyl-5-nitro-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-2,6-dimethyl-5-nitro-4-(2-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S)-2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-2,6-dimethyl-5-nitro-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(NC(=C(C2C3=CC=CC=N3)[N+](=O)[O-])C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(NC(=C([C@@H]2C3=CC=CC=N3)[N+](=O)[O-])C)C)C(C)C

InChI

InChI=1S/C23H31N3O4/c1-13(2)17-10-9-14(3)12-19(17)30-23(27)20-15(4)25-16(5)22(26(28)29)21(20)18-8-6-7-11-24-18/h6-8,11,13-14,17,19,21,25H,9-10,12H2,1-5H3/t14-,17+,19-,21-/m1/s1