(E)-7-[1-(azepan-1-yl)-4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-pyrrol-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: (E)-7-[1-(azepan-1-yl)-4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-pyrrol-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: (E)-7-[1-(azepan-1-yl)-4-(4-fluorophenyl)-2-isopropyl-5-phenyl-pyrrol-3-yl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[1-(1-azepanyl)-4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3-pyrrolyl]-5-hydroxy-3-oxo-6-heptenoate IUPAC Name: (E)-7-[1-(azepan-1-yl)-4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylpyrrol-3-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[1-(azepan-1-yl)-4-(4-fluorophenyl)-2-isopropyl-5-phenyl-pyrrol-3-yl]-5-hydroxy-3-keto-hept-6-enoate Formula: C32H36FN2O4- MolecularWeight: 531.637643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(N1N2CCCCCC2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C=CC(CC(=O)CC(=O)[O-])O

Isomeric SMILES

CC(C)C1=C(C(=C(N1N2CCCCCC2)C3=CC=CC=C3)C4=CC=C(C=C4)F)/C=C/C(CC(=O)CC(=O)[O-])O

InChI

InChI=1S/C32H37FN2O4/c1-22(2)31-28(17-16-26(36)20-27(37)21-29(38)39)30(23-12-14-25(33)15-13-23)32(24-10-6-5-7-11-24)35(31)34-18-8-3-4-9-19-34/h5-7,10-17,22,26,36H,3-4,8-9,18-21H2,1-2H3,(H,38,39)/p-1/b17-16+