hexyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(propan-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: hexyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(propan-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: hexyl 5-(isopropylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-5-[oxo-(propan-2-ylamino)methyl]-1,4-dihydropyridine-3-carboxylic acid hexyl ester IUPAC Name: hexyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(propan-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(isopropylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid hexyl ester Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC(C)C)C)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC(C)C)C)C

InChI

InChI=1S/C24H33N3O5/c1-6-7-8-11-14-32-24(29)21-17(5)26-16(4)20(23(28)25-15(2)3)22(21)18-12-9-10-13-19(18)27(30)31/h9-10,12-13,15,22,26H,6-8,11,14H2,1-5H3,(H,25,28)