ethyl 3-[4-(4-tert-butylphenoxy)butanoylamino]-4-cyano-1-methyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-[4-(4-tert-butylphenoxy)butanoylamino]-4-cyano-1-methyl-pyrrole-2-carboxylate Openeye Name: ethyl 3-[4-(4-tert-butylphenoxy)butanoylamino]-4-cyano-1-methyl-pyrrole-2-carboxylate CAS Name: 3-[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-4-cyano-1-methyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-tert-butylphenoxy)butanoylamino]-4-cyano-1-methylpyrrole-2-carboxylate Traditional Name: 3-[4-(4-tert-butylphenoxy)butanoylamino]-4-cyano-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1C)C#N)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1C)C#N)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H29N3O4/c1-6-29-22(28)21-20(16(14-24)15-26(21)5)25-19(27)8-7-13-30-18-11-9-17(10-12-18)23(2,3)4/h9-12,15H,6-8,13H2,1-5H3,(H,25,27)