(phenylmethyl) 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-5-oxidanyl-3-prop-2-enoxy-heptanoate

Systemtic Name: (phenylmethyl) 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-5-oxidanyl-3-prop-2-enoxy-heptanoate Openeye Name: benzyl 3-allyloxy-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-5-hydroxy-heptanoate CAS Name: 7-[4-[anilino(oxo)methyl]-2-(4-fluorophenyl)-3-phenyl-5-propan-2-yl-1-pyrrolyl]-5-hydroxy-3-prop-2-enoxyheptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-prop-2-enoxyheptanoate Traditional Name: 3-allyloxy-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-5-hydroxy-enanthic acid benzyl ester Formula: C43H45FN2O5 MolecularWeight: 688.826203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)OCC2=CC=CC=C2)OCC=C)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)OCC2=CC=CC=C2)OCC=C)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C43H45FN2O5/c1-4-26-50-37(28-38(48)51-29-31-14-8-5-9-15-31)27-36(47)24-25-46-41(30(2)3)40(43(49)45-35-18-12-7-13-19-35)39(32-16-10-6-11-17-32)42(46)33-20-22-34(44)23-21-33/h4-23,30,36-37,47H,1,24-29H2,2-3H3,(H,45,49)