ethyl 2-[2-(4-aminophenyl)ethynyl]-3,5-dimethyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-[2-(4-aminophenyl)ethynyl]-3,5-dimethyl-imidazole-4-carboxylate Openeye Name: ethyl 2-[2-(4-aminophenyl)ethynyl]-3,5-dimethyl-imidazole-4-carboxylate CAS Name: 2-[2-(4-aminophenyl)ethynyl]-3,5-dimethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-aminophenyl)ethynyl]-3,5-dimethylimidazole-4-carboxylate Traditional Name: 2-[2-(4-aminophenyl)ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid ethyl ester Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1C)C#CC2=CC=C(C=C2)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1C)C#CC2=CC=C(C=C2)N)C

InChI

InChI=1S/C16H17N3O2/c1-4-21-16(20)15-11(2)18-14(19(15)3)10-7-12-5-8-13(17)9-6-12/h5-6,8-9H,4,17H2,1-3H3