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

Systemtic Name: ethyl 2-methyl-5-[2-(3-methylbutylamino)-2-oxidanylidene-ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(isopentylamino)-2-oxo-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[2-(3-methylbutylamino)-1,2-dioxoethyl]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-(3-methylbutylamino)-2-oxoacetyl]-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(isoamylamino)-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:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NCCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NCCC(C)C)C

InChI

InChI=1S/C21H26N2O4/c1-5-27-21(26)16-14(4)23-18(17(16)15-9-7-6-8-10-15)19(24)20(25)22-12-11-13(2)3/h6-10,13,23H,5,11-12H2,1-4H3,(H,22,25)