(E)-7-[3-(3-fluorophenyl)-5-phenyl-1-piperidin-1-yl-2-propan-2-yl-2H-pyrrol-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E)-7-[3-(3-fluorophenyl)-5-phenyl-1-piperidin-1-yl-2-propan-2-yl-2H-pyrrol-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-[3-(3-fluorophenyl)-2-isopropyl-5-phenyl-1-(1-piperidyl)-2H-pyrrol-3-yl]-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: (E)-7-[3-(3-fluorophenyl)-5-phenyl-1-(1-piperidinyl)-2-propan-2-yl-2H-pyrrol-3-yl]-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: (E)-7-[3-(3-fluorophenyl)-5-phenyl-1-piperidin-1-yl-2-propan-2-yl-2H-pyrrol-3-yl]-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: (E)-7-[3-(3-fluorophenyl)-2-isopropyl-5-phenyl-1-piperidino-2-pyrrolin-3-yl]-5-hydroxy-3-keto-hept-6-enoic acid Formula: C31H37FN2O4 MolecularWeight: 520.634883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C=C(N1N2CCCCC2)C3=CC=CC=C3)(C=CC(CC(=O)CC(=O)O)O)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)C1C(C=C(N1N2CCCCC2)C3=CC=CC=C3)(/C=C/C(CC(=O)CC(=O)O)O)C4=CC(=CC=C4)F

InChI

InChI=1S/C31H37FN2O4/c1-22(2)30-31(24-12-9-13-25(32)18-24,15-14-26(35)19-27(36)20-29(37)38)21-28(23-10-5-3-6-11-23)34(30)33-16-7-4-8-17-33/h3,5-6,9-15,18,21-22,26,30,35H,4,7-8,16-17,19-20H2,1-2H3,(H,37,38)/b15-14+