ethyl 5-[(5-cyano-1H-indol-3-yl)methyl]-4-ethanoyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-[(5-cyano-1H-indol-3-yl)methyl]-4-ethanoyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-acetyl-5-[(5-cyano-1H-indol-3-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-5-[(5-cyano-1H-indol-3-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-[(5-cyano-1H-indol-3-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-5-[(5-cyano-1H-indol-3-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CC2=CNC3=C2C=C(C=C3)C#N)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CC2=CNC3=C2C=C(C=C3)C#N)C(=O)C)C

InChI

InChI=1S/C20H19N3O3/c1-4-26-20(25)19-11(2)18(12(3)24)17(23-19)8-14-10-22-16-6-5-13(9-21)7-15(14)16/h5-7,10,22-23H,4,8H2,1-3H3