methyl 4-[4-aminocarbonyl-2-ethyl-5-methyl-1-(3-methylbutan-2-yl)pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-2-ethyl-5-methyl-1-(3-methylbutan-2-yl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-(1,2-dimethylpropyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-2-ethyl-5-methyl-1-(3-methylbutan-2-yl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-2-ethyl-5-methyl-1-(3-methylbutan-2-yl)pyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-(1,2-dimethylpropyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1C(C)C(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1C(C)C(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O3/c1-7-17-19(15-8-10-16(11-9-15)21(25)26-6)18(20(22)24)14(5)23(17)13(4)12(2)3/h8-13H,7H2,1-6H3,(H2,22,24)