ethyl 4-[butyl(methyl)amino]-3-(2-phenylethynyl)benzoate

Systemtic Name: ethyl 4-[butyl(methyl)amino]-3-(2-phenylethynyl)benzoate Openeye Name: ethyl 4-[butyl(methyl)amino]-3-(2-phenylethynyl)benzoate CAS Name: 4-[butyl(methyl)amino]-3-(2-phenylethynyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-[butyl(methyl)amino]-3-(2-phenylethynyl)benzoate Traditional Name: 4-[butyl(methyl)amino]-3-(2-phenylethynyl)benzoic acid ethyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)C(=O)OCC)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C(=O)OCC)C#CC2=CC=CC=C2

InChI

InChI=1S/C22H25NO2/c1-4-6-16-23(3)21-15-14-20(22(24)25-5-2)17-19(21)13-12-18-10-8-7-9-11-18/h7-11,14-15,17H,4-6,16H2,1-3H3