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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(3,3-dimethylbutyl)-5-methyl-2-pentyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-2-pentyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-2-pentyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-2-pentylpyrrol-3-yl]benzoate Traditional Name: 4-[2-amyl-4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C25H36N2O3/c1-7-8-9-10-20-22(18-11-13-19(14-12-18)24(29)30-6)21(23(26)28)17(2)27(20)16-15-25(3,4)5/h11-14H,7-10,15-16H2,1-6H3,(H2,26,28)