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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C=N1)CCCCCN2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(N(C=N1)CCCCCN2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

InChI

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