methyl 1-(2-acetyloxy-1-phenyl-ethyl)-4-pyridin-3-yl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-(2-acetyloxy-1-phenyl-ethyl)-4-pyridin-3-yl-pyrrole-3-carboxylate Openeye Name: methyl 1-(2-acetoxy-1-phenyl-ethyl)-4-(3-pyridyl)pyrrole-3-carboxylate CAS Name: 1-(2-acetyloxy-1-phenylethyl)-4-(3-pyridinyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-acetyloxy-1-phenylethyl)-4-pyridin-3-ylpyrrole-3-carboxylate Traditional Name: 1-(2-acetoxy-1-phenyl-ethyl)-4-(3-pyridyl)pyrrole-3-carboxylic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1=CC=CC=C1)N2C=C(C(=C2)C(=O)OC)C3=CN=CC=C3

Isomeric SMILES

CC(=O)OCC(C1=CC=CC=C1)N2C=C(C(=C2)C(=O)OC)C3=CN=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-15(24)27-14-20(16-7-4-3-5-8-16)23-12-18(17-9-6-10-22-11-17)19(13-23)21(25)26-2/h3-13,20H,14H2,1-2H3