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

Systemtic Name: methyl 4-[4-aminocarbonyl-2-butyl-5-methyl-1-[(3-methylphenyl)methyl]pyrrol-3-yl]benzoate Openeye Name: methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-(m-tolylmethyl)pyrrol-3-yl]benzoate CAS Name: 4-[2-butyl-4-carbamoyl-5-methyl-1-[(3-methylphenyl)methyl]-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-[(3-methylphenyl)methyl]pyrrol-3-yl]benzoate Traditional Name: 4-[2-butyl-4-carbamoyl-5-methyl-1-(3-methylbenzyl)pyrrol-3-yl]benzoic acid methyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c1-5-6-10-22-24(20-11-13-21(14-12-20)26(30)31-4)23(25(27)29)18(3)28(22)16-19-9-7-8-17(2)15-19/h7-9,11-15H,5-6,10,16H2,1-4H3,(H2,27,29)