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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-(2-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-(2-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-(2-phenylbutylamino)methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-(2-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(2-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C)C)C2=CC=CC=C2

Isomeric SMILES

CCC(CNC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C)C)C2=CC=CC=C2

InChI

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