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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-[(3-chlorophenyl)methyl]-5-methyl-2-pentyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-5-methyl-2-pentyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-5-methyl-2-pentyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-5-methyl-2-pentylpyrrol-3-yl]benzoate Traditional Name: 4-[2-amyl-4-carbamoyl-1-(3-chlorobenzyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C26H29ClN2O3 MolecularWeight: 452.97306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H29ClN2O3/c1-4-5-6-10-22-24(19-11-13-20(14-12-19)26(31)32-3)23(25(28)30)17(2)29(22)16-18-8-7-9-21(27)15-18/h7-9,11-15H,4-6,10,16H2,1-3H3,(H2,28,30)