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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(3,3-dimethylbutyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-2-ethyl-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-2-ethyl-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-2-ethyl-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H30N2O3/c1-7-17-19(15-8-10-16(11-9-15)21(26)27-6)18(20(23)25)14(2)24(17)13-12-22(3,4)5/h8-11H,7,12-13H2,1-6H3,(H2,23,25)