4-[8-(4-cyano-2-fluoranyl-phenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[8-(4-cyano-2-fluoranyl-phenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[8-(4-cyano-2-fluoro-phenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[8-(4-cyano-2-fluorophenyl)-4-pyrido[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[8-(4-cyano-2-fluorophenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[8-(4-cyano-2-fluoro-phenyl)pyrido[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C20H16FN5O3 MolecularWeight: 393.371143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=NC=NC3=C2C=CN=C3C4=C(C=C(C=C4)C#N)F)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=NC=NC3=C2C=CN=C3C4=C(C=C(C=C4)C#N)F)C(=O)O

InChI

InChI=1S/C20H16FN5O3/c21-16-9-12(10-22)1-2-14(16)17-18-15(3-6-23-17)19(25-11-24-18)29-13-4-7-26(8-5-13)20(27)28/h1-3,6,9,11,13H,4-5,7-8H2,(H,27,28)