ethyl 4-cyclopropyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-4-cyclopropyl-5-(2-ethoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: 4-cyclopropyl-5-(2-ethoxy-2-oxoethyl)-1-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-cyclopropyl-5-(2-ethoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: 1-benzyl-4-cyclopropyl-5-(2-ethoxy-2-keto-ethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=CN1CC2=CC=CC=C2)C(=O)OCC)C3CC3

Isomeric SMILES

CCOC(=O)CC1=C(C(=CN1CC2=CC=CC=C2)C(=O)OCC)C3CC3

InChI

InChI=1S/C21H25NO4/c1-3-25-19(23)12-18-20(16-10-11-16)17(21(24)26-4-2)14-22(18)13-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3