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

Systemtic Name: ethyl 5-[2-[3-(dimethylamino)propylamino]-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[3-(dimethylamino)propylamino]-2-oxo-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[3-(dimethylamino)propylamino]-1,2-dioxoethyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[3-(dimethylamino)propylamino]-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[3-(dimethylamino)propylamino]-2-keto-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-5-28-21(27)16-14(2)23-18(17(16)15-10-7-6-8-11-15)19(25)20(26)22-12-9-13-24(3)4/h6-8,10-11,23H,5,9,12-13H2,1-4H3,(H,22,26)