ethyl 4-(butylcarbamoyl)-3,5-dimethyl-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(butylcarbamoyl)-3,5-dimethyl-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(butylcarbamoyl)-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-[butylamino(oxo)methyl]-3,5-dimethyl-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(butylcarbamoyl)-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(butylcarbamoyl)-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C(=C1C)C(=O)OCC)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=C1C)C(=O)OCC)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H28N2O3/c1-5-7-13-22-20(24)18-15(3)19(21(25)26-6-2)23(16(18)4)14-17-11-9-8-10-12-17/h8-12H,5-7,13-14H2,1-4H3,(H,22,24)