ethyl 5-azanyl-4-cyano-1-(4-methylphenyl)-3-propan-2-yl-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-1-(4-methylphenyl)-3-propan-2-yl-pyrrole-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-isopropyl-1-(p-tolyl)pyrrole-2-carboxylate CAS Name: 5-amino-4-cyano-1-(4-methylphenyl)-3-propan-2-yl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-1-(4-methylphenyl)-3-propan-2-ylpyrrole-2-carboxylate Traditional Name: 5-amino-4-cyano-3-isopropyl-1-(p-tolyl)pyrrole-2-carboxylic acid ethyl ester Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)C)N)C#N)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)C)N)C#N)C(C)C

InChI

InChI=1S/C18H21N3O2/c1-5-23-18(22)16-15(11(2)3)14(10-19)17(20)21(16)13-8-6-12(4)7-9-13/h6-9,11H,5,20H2,1-4H3