ethyl 2,4-dimethyl-5-(1-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(1-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(1-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-(1-phenylbutylamino)methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(1-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(1-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C20H26N2O3/c1-5-10-16(15-11-8-7-9-12-15)22-19(23)18-13(3)17(14(4)21-18)20(24)25-6-2/h7-9,11-12,16,21H,5-6,10H2,1-4H3,(H,22,23)