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

Systemtic Name: methyl 4-[4-aminocarbonyl-2-butyl-1-(3,3-dimethylbutyl)-5-methyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[2-butyl-4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[2-butyl-4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-butyl-4-carbamoyl-1-(3,3-dimethylbutyl)-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[2-butyl-4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C24H34N2O3/c1-7-8-9-19-21(17-10-12-18(13-11-17)23(28)29-6)20(22(25)27)16(2)26(19)15-14-24(3,4)5/h10-13H,7-9,14-15H2,1-6H3,(H2,25,27)