ethyl 2,2-bis(fluoranyl)-3-oxidanyl-3-[2-[propyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridin-3-yl]propanoate

Systemtic Name: ethyl 2,2-bis(fluoranyl)-3-oxidanyl-3-[2-[propyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridin-3-yl]propanoate Openeye Name: ethyl 2,2-difluoro-3-hydroxy-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridyl]propanoate CAS Name: 2,2-difluoro-3-hydroxy-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2,2-difluoro-3-hydroxy-3-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridin-3-yl]propanoate Traditional Name: 2,2-difluoro-3-hydroxy-3-[2-[propyl-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]amino]-3-pyridyl]propionic acid ethyl ester Formula: C27H28F2N6O3 MolecularWeight: 522.546426

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=C(C=CC=N4)C(C(C(=O)OCC)(F)F)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=C(C=CC=N4)C(C(C(=O)OCC)(F)F)O

InChI

InChI=1S/C27H28F2N6O3/c1-3-16-35(25-22(10-7-15-30-25)23(36)27(28,29)26(37)38-4-2)17-18-11-13-19(14-12-18)20-8-5-6-9-21(20)24-31-33-34-32-24/h5-15,23,36H,3-4,16-17H2,1-2H3,(H,31,32,33,34)