methyl 5-[2-(4-tert-butylphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(4-tert-butylphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(4-tert-butylphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-(4-tert-butylphenyl)ethylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-tert-butylphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-tert-butylphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCCC2=CC=C(C=C2)C(C)(C)C

InChI

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