4-phenylbutyl 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 4-phenylbutyl 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 4-phenylbutyl 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2,6-dimethyl-4-(1-methyl-5-nitro-2-imidazolyl)-1,4-dihydropyridine-3-carboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitroimidazol-2-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid 4-phenylbutyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCCCC3=CC=CC=C3)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCCCC3=CC=CC=C3)C)C

InChI

InChI=1S/C27H35N5O5/c1-6-31(7-2)26(33)22-18(3)29-19(4)23(24(22)25-28-17-21(30(25)5)32(35)36)27(34)37-16-12-11-15-20-13-9-8-10-14-20/h8-10,13-14,17,24,29H,6-7,11-12,15-16H2,1-5H3