ethyl 4-[2-(1H-pyrrol-2-yl)pyrimidin-4-yl]benzoate

Systemtic Name: ethyl 4-[2-(1H-pyrrol-2-yl)pyrimidin-4-yl]benzoate Openeye Name: ethyl 4-[2-(1H-pyrrol-2-yl)pyrimidin-4-yl]benzoate CAS Name: 4-[2-(1H-pyrrol-2-yl)-4-pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-pyrrol-2-yl)pyrimidin-4-yl]benzoate Traditional Name: 4-[2-(1H-pyrrol-2-yl)pyrimidin-4-yl]benzoic acid ethyl ester Formula: C17H15N3O2 MolecularWeight: 293.3199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=CN3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=CN3

InChI

InChI=1S/C17H15N3O2/c1-2-22-17(21)13-7-5-12(6-8-13)14-9-11-19-16(20-14)15-4-3-10-18-15/h3-11,18H,2H2,1H3