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

Systemtic Name: methyl 4-[4-aminocarbonyl-2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-(4-carbamoyl-1-isopentyl-2,5-dimethyl-pyrrol-3-yl)benzoate CAS Name: 4-[4-carbamoyl-2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]benzoate Traditional Name: 4-(4-carbamoyl-1-isoamyl-2,5-dimethyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H26N2O3/c1-12(2)10-11-22-13(3)17(18(14(22)4)19(21)23)15-6-8-16(9-7-15)20(24)25-5/h6-9,12H,10-11H2,1-5H3,(H2,21,23)