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

Systemtic Name: ethyl 5-(2-ethoxy-2-oxidanylidene-ethyl)-4-ethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-(2-ethoxy-2-oxo-ethyl)-4-ethyl-pyrrole-3-carboxylate CAS Name: 5-(2-ethoxy-2-oxoethyl)-4-ethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-(2-ethoxy-2-oxoethyl)-4-ethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-5-(2-ethoxy-2-keto-ethyl)-4-ethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C=C1C(=O)OCC)CC2=CC=CC=C2)CC(=O)OCC

Isomeric SMILES

CCC1=C(N(C=C1C(=O)OCC)CC2=CC=CC=C2)CC(=O)OCC

InChI

InChI=1S/C20H25NO4/c1-4-16-17(20(23)25-6-3)14-21(13-15-10-8-7-9-11-15)18(16)12-19(22)24-5-2/h7-11,14H,4-6,12-13H2,1-3H3