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

Systemtic Name: 2-[(3-cyano-4-piperidin-1-yl-phenyl)-[1-(4-fluorophenyl)pyrrol-2-yl]carbonyl-amino]butanoic acid Openeye Name: 2-[3-cyano-N-[1-(4-fluorophenyl)pyrrole-2-carbonyl]-4-(1-piperidyl)anilino]butanoic acid CAS Name: 2-[3-cyano-N-[[1-(4-fluorophenyl)-2-pyrrolyl]-oxomethyl]-4-(1-piperidinyl)anilino]butanoic acid IUPAC Name: 2-(3-cyano-N-[1-(4-fluorophenyl)pyrrole-2-carbonyl]-4-piperidin-1-ylanilino)butanoic acid Traditional Name: 2-(3-cyano-N-[1-(4-fluorophenyl)pyrrole-2-carbonyl]-4-piperidino-anilino)butyric acid Formula: C27H27FN4O3 MolecularWeight: 474.526683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(C1=CC(=C(C=C1)N2CCCCC2)C#N)C(=O)C3=CC=CN3C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C(=O)O)N(C1=CC(=C(C=C1)N2CCCCC2)C#N)C(=O)C3=CC=CN3C4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN4O3/c1-2-23(27(34)35)32(22-12-13-24(19(17-22)18-29)30-14-4-3-5-15-30)26(33)25-7-6-16-31(25)21-10-8-20(28)9-11-21/h6-13,16-17,23H,2-5,14-15H2,1H3,(H,34,35)