4-[3,4-bis(fluoranyl)phenyl]-6-(methoxymethyl)-3-[[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]carbamoyl]-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-6-(methoxymethyl)-3-[[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]carbamoyl]-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]carbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[[[1-[4-(2-methoxyphenyl)cyclohexyl]-3-pyrrolidinyl]amino]-oxomethyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]carbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3,4-difluorophenyl)-2-keto-6-(methoxymethyl)-3-[[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]carbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid Formula: C31H36F2N4O6 MolecularWeight: 598.637546

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(N(C(=O)N1)C(=O)NC2CCN(C2)C3CCC(CC3)C4=CC=CC=C4OC)C5=CC(=C(C=C5)F)F)C(=O)O

Isomeric SMILES

COCC1=C(C(N(C(=O)N1)C(=O)NC2CCN(C2)C3CCC(CC3)C4=CC=CC=C4OC)C5=CC(=C(C=C5)F)F)C(=O)O

InChI

InChI=1S/C31H36F2N4O6/c1-42-17-25-27(29(38)39)28(19-9-12-23(32)24(33)15-19)37(31(41)35-25)30(40)34-20-13-14-36(16-20)21-10-7-18(8-11-21)22-5-3-4-6-26(22)43-2/h3-6,9,12,15,18,20-21,28H,7-8,10-11,13-14,16-17H2,1-2H3,(H,34,40)(H,35,41)(H,38,39)