ethyl 2-methyl-5-[2-oxidanylidene-2-(pentylamino)ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[2-oxidanylidene-2-(pentylamino)ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-oxo-2-(pentylamino)acetyl]-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-[1,2-dioxo-2-(pentylamino)ethyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-oxo-2-(pentylamino)acetyl]-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(amylamino)-2-keto-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4/c1-4-6-10-13-22-20(25)19(24)18-17(15-11-8-7-9-12-15)16(14(3)23-18)21(26)27-5-2/h7-9,11-12,23H,4-6,10,13H2,1-3H3,(H,22,25)