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

Systemtic Name: methyl 4-[4-aminocarbonyl-2-butyl-1-[(3-chlorophenyl)methyl]-5-methyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[2-butyl-4-carbamoyl-1-[(3-chlorophenyl)methyl]-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[2-butyl-4-carbamoyl-1-[(3-chlorophenyl)methyl]-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-butyl-4-carbamoyl-1-[(3-chlorophenyl)methyl]-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[2-butyl-4-carbamoyl-1-(3-chlorobenzyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O3/c1-4-5-9-21-23(18-10-12-19(13-11-18)25(30)31-3)22(24(27)29)16(2)28(21)15-17-7-6-8-20(26)14-17/h6-8,10-14H,4-5,9,15H2,1-3H3,(H2,27,29)