4-[[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridin-1-yl]carbonyloxy]butanoic acid

Systemtic Name: 4-[[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridin-1-yl]carbonyloxy]butanoic acid Openeye Name: 4-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxybutanoic acid CAS Name: 4-[[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)-2-pyrimidinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-oxomethoxy]butanoic acid IUPAC Name: 4-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxybutanoic acid Traditional Name: 4-[(2R)-4-[[3,5-bis(trifluoromethyl)benzyl]-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxybutyric acid Formula: C33H34F6N6O6 MolecularWeight: 724.650079

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OCCCC(=O)O)C=CC(=N2)OC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCCC#N

Isomeric SMILES

CC[C@@H]1CC(C2=C(N1C(=O)OCCCC(=O)O)C=CC(=N2)OC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCCC#N

InChI

InChI=1S/C33H34F6N6O6/c1-3-23-16-26(29-25(8-9-27(43-29)49-2)45(23)31(48)51-12-6-7-28(46)47)44(30-41-17-24(18-42-30)50-11-5-4-10-40)19-20-13-21(32(34,35)36)15-22(14-20)33(37,38)39/h8-9,13-15,17-18,23,26H,3-7,11-12,16,19H2,1-2H3,(H,46,47)/t23-,26?/m1/s1