methyl 4-[4-aminocarbonyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-pentyl-pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-pentyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-pentyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-pentyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-pentylpyrrol-3-yl]benzoate Traditional Name: 4-[2-amyl-4-carbamoyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C27H31FN2O3 MolecularWeight: 450.545043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCC2=CC=CC=C2F)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCC2=CC=CC=C2F)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H31FN2O3/c1-4-5-6-11-23-25(20-12-14-21(15-13-20)27(32)33-3)24(26(29)31)18(2)30(23)17-16-19-9-7-8-10-22(19)28/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H2,29,31)