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

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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)OCCC#N

Isomeric SMILES

CCC1=C([C@H](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)OCCC#N

InChI

InChI=1S/C33H38N6O8/c1-3-26-27(29(40)47-22-7-17-34)28(23-11-13-25(14-12-23)39(44)45)38(32(43)36-26)31(42)35-18-8-19-37-20-15-33(16-21-37,30(41)46-2)24-9-5-4-6-10-24/h4-6,9-14,28H,3,7-8,15-16,18-22H2,1-2H3,(H,35,42)(H,36,43)/t28-/m1/s1