ethyl 5-[3-[ethyl(phenyl)amino]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[3-[ethyl(phenyl)amino]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-(N-ethylanilino)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-(N-ethylanilino)propylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(N-ethylanilino)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-(N-ethylanilino)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C)C2=CC=CC=C2

Isomeric SMILES

CCN(CCCNC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3O3/c1-5-24(17-11-8-7-9-12-17)14-10-13-22-20(25)19-15(3)18(16(4)23-19)21(26)27-6-2/h7-9,11-12,23H,5-6,10,13-14H2,1-4H3,(H,22,25)