(E)-7-[4-(4-fluoranyl-3-phenoxy-phenyl)-5-methyl-1-piperidin-1-yl-2-propan-2-yl-pyrrol-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: (E)-7-[4-(4-fluoranyl-3-phenoxy-phenyl)-5-methyl-1-piperidin-1-yl-2-propan-2-yl-pyrrol-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: (E)-7-[4-(4-fluoro-3-phenoxy-phenyl)-2-isopropyl-5-methyl-1-(1-piperidyl)pyrrol-3-yl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[4-(4-fluoro-3-phenoxyphenyl)-5-methyl-1-(1-piperidinyl)-2-propan-2-yl-3-pyrrolyl]-5-hydroxy-3-oxo-6-heptenoate IUPAC Name: (E)-7-[4-(4-fluoro-3-phenoxyphenyl)-5-methyl-1-piperidin-1-yl-2-propan-2-ylpyrrol-3-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[4-(4-fluoro-3-phenoxy-phenyl)-2-isopropyl-5-methyl-1-piperidino-pyrrol-3-yl]-5-hydroxy-3-keto-hept-6-enoate Formula: C32H36FN2O5- MolecularWeight: 547.637043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1N2CCCCC2)C(C)C)C=CC(CC(=O)CC(=O)[O-])O)C3=CC(=C(C=C3)F)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(N1N2CCCCC2)C(C)C)/C=C/C(CC(=O)CC(=O)[O-])O)C3=CC(=C(C=C3)F)OC4=CC=CC=C4

InChI

InChI=1S/C32H37FN2O5/c1-21(2)32-27(14-13-24(36)19-25(37)20-30(38)39)31(22(3)35(32)34-16-8-5-9-17-34)23-12-15-28(33)29(18-23)40-26-10-6-4-7-11-26/h4,6-7,10-15,18,21,24,36H,5,8-9,16-17,19-20H2,1-3H3,(H,38,39)/p-1/b14-13+