methyl 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoate CAS Name: 3-[[5-(4-ethynylphenyl)-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoate Traditional Name: 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=NC=C2C3=CC=C(C=C3)C#C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=NC=C2C3=CC=C(C=C3)C#C

InChI

InChI=1S/C20H16N2O2/c1-3-15-7-9-17(10-8-15)19-12-21-14-22(19)13-16-5-4-6-18(11-16)20(23)24-2/h1,4-12,14H,13H2,2H3