2-isocyanoethyl 6-ethyl-3-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-4-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-isocyanoethyl 6-ethyl-3-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-4-(4-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 2-isocyanoethyl 6-ethyl-3-[3-(4-methoxycarbonyl-4-phenyl-1-piperidyl)propylcarbamoyl]-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-ethyl-3-[[3-(4-methoxycarbonyl-4-phenyl-1-piperidinyl)propylamino]-oxomethyl]-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid 2-isocyanoethyl ester IUPAC Name: 2-isocyanoethyl 6-ethyl-3-[3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-(4-carbomethoxy-4-phenyl-piperidino)propylcarbamoyl]-6-ethyl-2-keto-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid 2-isocyanoethyl ester Formula: C33H38N6O8 MolecularWeight: 646.69022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC[N+]#[C-]

Isomeric SMILES

CCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC[N+]#[C-]

InChI

InChI=1S/C33H38N6O8/c1-4-26-27(29(40)47-22-18-34-2)28(23-11-13-25(14-12-23)39(44)45)38(32(43)36-26)31(42)35-17-8-19-37-20-15-33(16-21-37,30(41)46-3)24-9-6-5-7-10-24/h5-7,9-14,28H,4,8,15-22H2,1,3H3,(H,35,42)(H,36,43)