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

Systemtic Name: methyl 4-[4-aminocarbonyl-2-ethyl-5-methyl-1-(3-methylbutyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-(4-carbamoyl-2-ethyl-1-isopentyl-5-methyl-pyrrol-3-yl)benzoate CAS Name: 4-[4-carbamoyl-2-ethyl-5-methyl-1-(3-methylbutyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-2-ethyl-5-methyl-1-(3-methylbutyl)pyrrol-3-yl]benzoate Traditional Name: 4-(4-carbamoyl-2-ethyl-1-isoamyl-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(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

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