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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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