pentyl 3-azanyl-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-2,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: pentyl 3-azanyl-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-2,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: pentyl 3-amino-4-(2-benzyloxyphenyl)-2,6-dimethyl-5-nitro-2,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 3-amino-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-2,4-dihydro-1H-pyridine-3-carboxylic acid pentyl ester IUPAC Name: pentyl 3-amino-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-2,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 3-amino-4-(2-benzoxyphenyl)-2,6-dimethyl-5-nitro-2,4-dihydro-1H-pyridine-3-carboxylic acid amyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1(C(NC(=C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])C)C)N

Isomeric SMILES

CCCCCOC(=O)C1(C(NC(=C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])C)C)N

InChI

InChI=1S/C26H33N3O5/c1-4-5-11-16-33-25(30)26(27)19(3)28-18(2)24(29(31)32)23(26)21-14-9-10-15-22(21)34-17-20-12-7-6-8-13-20/h6-10,12-15,19,23,28H,4-5,11,16-17,27H2,1-3H3