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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(3,3-dimethylbutyl)-5-methyl-2-propyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-2-propyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-2-propyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-2-propylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-(3,3-dimethylbutyl)-5-methyl-2-propyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C23H32N2O3/c1-7-8-18-20(16-9-11-17(12-10-16)22(27)28-6)19(21(24)26)15(2)25(18)14-13-23(3,4)5/h9-12H,7-8,13-14H2,1-6H3,(H2,24,26)