2-[(3-cyano-4-piperidin-1-yl-phenyl)-[1-(4-fluorophenyl)pyrrol-2-yl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[(3-cyano-4-piperidin-1-yl-phenyl)-[1-(4-fluorophenyl)pyrrol-2-yl]carbonyl-amino]ethanoic acid Openeye Name: 2-[3-cyano-N-[1-(4-fluorophenyl)pyrrole-2-carbonyl]-4-(1-piperidyl)anilino]acetic acid CAS Name: 2-[3-cyano-N-[[1-(4-fluorophenyl)-2-pyrrolyl]-oxomethyl]-4-(1-piperidinyl)anilino]acetic acid IUPAC Name: 2-(3-cyano-N-[1-(4-fluorophenyl)pyrrole-2-carbonyl]-4-piperidin-1-ylanilino)acetic acid Traditional Name: 2-(3-cyano-N-[1-(4-fluorophenyl)pyrrole-2-carbonyl]-4-piperidino-anilino)acetic acid Formula: C25H23FN4O3 MolecularWeight: 446.473523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)N(CC(=O)O)C(=O)C3=CC=CN3C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)N(CC(=O)O)C(=O)C3=CC=CN3C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C25H23FN4O3/c26-19-6-8-20(9-7-19)29-14-4-5-23(29)25(33)30(17-24(31)32)21-10-11-22(18(15-21)16-27)28-12-2-1-3-13-28/h4-11,14-15H,1-3,12-13,17H2,(H,31,32)