methyl 4-[4-aminocarbonyl-1-[[3,4-bis(fluoranyl)phenyl]methyl]-2-butyl-5-methyl-pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-1-[[3,4-bis(fluoranyl)phenyl]methyl]-2-butyl-5-methyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[2-butyl-4-carbamoyl-1-[(3,4-difluorophenyl)methyl]-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[2-butyl-4-carbamoyl-1-[(3,4-difluorophenyl)methyl]-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-butyl-4-carbamoyl-1-[(3,4-difluorophenyl)methyl]-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[2-butyl-4-carbamoyl-1-(3,4-difluorobenzyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C25H26F2N2O3 MolecularWeight: 440.482346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC(=C(C=C2)F)F)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC(=C(C=C2)F)F)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H26F2N2O3/c1-4-5-6-21-23(17-8-10-18(11-9-17)25(31)32-3)22(24(28)30)15(2)29(21)14-16-7-12-19(26)20(27)13-16/h7-13H,4-6,14H2,1-3H3,(H2,28,30)