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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-butyl-5-methyl-3-(4-methylphenyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-butyl-4-carbamoyl-5-methyl-3-(p-tolyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-butyl-4-carbamoyl-5-methyl-3-(4-methylphenyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-butyl-4-carbamoyl-5-methyl-3-(4-methylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-butyl-4-carbamoyl-5-methyl-3-(p-tolyl)pyrrol-2-yl]propionic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC=C(C=C2)C)C(=O)N)C

Isomeric SMILES

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC=C(C=C2)C)C(=O)N)C

InChI

InChI=1S/C21H28N2O3/c1-5-6-13-23-15(3)19(21(22)25)20(16-9-7-14(2)8-10-16)17(23)11-12-18(24)26-4/h7-10H,5-6,11-13H2,1-4H3,(H2,22,25)