O3-[1-(phenylmethyl)piperidin-4-yl] O5-propan-2-yl 6-methyl-4-(2-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O3-[1-(phenylmethyl)piperidin-4-yl] O5-propan-2-yl 6-methyl-4-(2-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O3-(1-benzyl-4-piperidyl) O5-isopropyl 6-methyl-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-[1-(phenylmethyl)-4-piperidinyl] ester O5-propan-2-yl ester IUPAC Name: 3-O-(1-benzylpiperidin-4-yl) 5-O-propan-2-yl 6-methyl-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 2-keto-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-(1-benzyl-4-piperidyl) ester O5-isopropyl ester Formula: C28H32N4O7 MolecularWeight: 536.57628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)OC2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)OC2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C28H32N4O7/c1-18(2)38-26(33)24-19(3)29-27(34)31(25(24)22-11-7-8-12-23(22)32(36)37)28(35)39-21-13-15-30(16-14-21)17-20-9-5-4-6-10-20/h4-12,18,21,25H,13-17H2,1-3H3,(H,29,34)