(5-ethanoyl-2-ethoxy-phenyl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(N(C(=C2)C)C3CC3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(N(C(=C2)C)C3CC3)C

InChI

InChI=1S/C21H25NO4/c1-5-25-20-9-6-16(15(4)23)11-17(20)12-26-21(24)19-10-13(2)22(14(19)3)18-7-8-18/h6,9-11,18H,5,7-8,12H2,1-4H3