methyl 3-[2-[5-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)pentyl]-4-methyl-6-nitro-phenyl]-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl 3-[2-[5-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)pentyl]-4-methyl-6-nitro-phenyl]-4H-pyrimidine-5-carboxylate Openeye Name: methyl 3-[2-[5-(4-methoxycarbonyl-4-phenyl-1-piperidyl)pentyl]-4-methyl-6-nitro-phenyl]-4H-pyrimidine-5-carboxylate CAS Name: 3-[2-[5-(4-methoxycarbonyl-4-phenyl-1-piperidinyl)pentyl]-4-methyl-6-nitrophenyl]-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[5-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)pentyl]-4-methyl-6-nitrophenyl]-4H-pyrimidine-5-carboxylate Traditional Name: 3-[2-[5-(4-carbomethoxy-4-phenyl-piperidino)pentyl]-4-methyl-6-nitro-phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C31H38N4O6 MolecularWeight: 562.65662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])N2CC(=CN=C2)C(=O)OC)CCCCCN3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])N2CC(=CN=C2)C(=O)OC)CCCCCN3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C31H38N4O6/c1-23-18-24(28(27(19-23)35(38)39)34-21-25(20-32-22-34)29(36)40-2)10-6-5-9-15-33-16-13-31(14-17-33,30(37)41-3)26-11-7-4-8-12-26/h4,7-8,11-12,18-20,22H,5-6,9-10,13-17,21H2,1-3H3