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

Systemtic Name: ethyl 5-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)-4-propan-2-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-(2-ethoxy-2-oxo-ethyl)-4-isopropyl-pyrrole-3-carboxylate CAS Name: 5-(2-ethoxy-2-oxoethyl)-1-(phenylmethyl)-4-propan-2-yl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-(2-ethoxy-2-oxoethyl)-4-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-benzyl-5-(2-ethoxy-2-keto-ethyl)-4-isopropyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-5-25-19(23)12-18-20(15(3)4)17(21(24)26-6-2)14-22(18)13-16-10-8-7-9-11-16/h7-11,14-15H,5-6,12-13H2,1-4H3