methyl 4-[3,4-bis(fluoranyl)phenyl]-3-[2-[(4-methoxycarbonyl-4-phenyl-cyclohexyl)amino]ethylcarbamoyl]-6-(methoxymethyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[3,4-bis(fluoranyl)phenyl]-3-[2-[(4-methoxycarbonyl-4-phenyl-cyclohexyl)amino]ethylcarbamoyl]-6-(methoxymethyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-(3,4-difluorophenyl)-3-[2-[(4-methoxycarbonyl-4-phenyl-cyclohexyl)amino]ethylcarbamoyl]-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-difluorophenyl)-3-[[2-[(4-methoxycarbonyl-4-phenylcyclohexyl)amino]ethylamino]-oxomethyl]-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-difluorophenyl)-3-[2-[(4-methoxycarbonyl-4-phenylcyclohexyl)amino]ethylcarbamoyl]-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[2-[(4-carbomethoxy-4-phenyl-cyclohexyl)amino]ethylcarbamoyl]-4-(3,4-difluorophenyl)-2-keto-6-(methoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C31H36F2N4O7 MolecularWeight: 614.636946

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(N(C(=O)N1)C(=O)NCCNC2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC(=C(C=C4)F)F)C(=O)OC

Isomeric SMILES

COCC1=C(C(N(C(=O)N1)C(=O)NCCNC2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC(=C(C=C4)F)F)C(=O)OC

InChI

InChI=1S/C31H36F2N4O7/c1-42-18-24-25(27(38)43-2)26(19-9-10-22(32)23(33)17-19)37(30(41)36-24)29(40)35-16-15-34-21-11-13-31(14-12-21,28(39)44-3)20-7-5-4-6-8-20/h4-10,17,21,26,34H,11-16,18H2,1-3H3,(H,35,40)(H,36,41)