2-[3-[[3-cyano-4-(4-oxidanylpiperidin-1-yl)phenyl]carbamoyl]-5-fluoranyl-2-methyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[3-cyano-4-(4-oxidanylpiperidin-1-yl)phenyl]carbamoyl]-5-fluoranyl-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-[[3-cyano-4-(4-hydroxy-1-piperidyl)phenyl]carbamoyl]-5-fluoro-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[[3-cyano-4-(4-hydroxy-1-piperidinyl)anilino]-oxomethyl]-5-fluoro-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-[[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]carbamoyl]-5-fluoro-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-[[3-cyano-4-(4-hydroxypiperidino)phenyl]carbamoyl]-5-fluoro-2-methyl-indol-1-yl]acetic acid Formula: C24H23FN4O4 MolecularWeight: 450.462223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)O)C#N

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)O)C#N

InChI

InChI=1S/C24H23FN4O4/c1-14-23(19-11-16(25)2-4-21(19)29(14)13-22(31)32)24(33)27-17-3-5-20(15(10-17)12-26)28-8-6-18(30)7-9-28/h2-5,10-11,18,30H,6-9,13H2,1H3,(H,27,33)(H,31,32)