(2S)-2-[(2-chloranyl-3-oxidanylidene-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-[(2-chloranyl-3-oxidanylidene-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid Openeye Name: (2S)-2-[(2-chloro-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid CAS Name: (2S)-2-[(2-chloro-3-oxo-1-spiro[3.5]non-1-enyl)amino]-3-[4-[2-(trifluoromethyl)-3-imidazo[4,5-b]pyridinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-[(2-chloro-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid Traditional Name: (2S)-2-[(2-chloro-3-keto-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propionic acid Formula: C25H22ClF3N4O3 MolecularWeight: 518.91539

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=C(C2=O)Cl)NC(CC3=CC=C(C=C3)N4C5=C(C=CC=N5)N=C4C(F)(F)F)C(=O)O

Isomeric SMILES

C1CCC2(CC1)C(=C(C2=O)Cl)N[C@@H](CC3=CC=C(C=C3)N4C5=C(C=CC=N5)N=C4C(F)(F)F)C(=O)O

InChI

InChI=1S/C25H22ClF3N4O3/c26-18-19(24(20(18)34)10-2-1-3-11-24)31-17(22(35)36)13-14-6-8-15(9-7-14)33-21-16(5-4-12-30-21)32-23(33)25(27,28)29/h4-9,12,17,31H,1-3,10-11,13H2,(H,35,36)/t17-/m0/s1