[4-[2-(3-aminocarbonylphenyl)ethynyl]-2-methyl-phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-(3-aminocarbonylphenyl)ethynyl]-2-methyl-phenyl] 2-methylbutanoate Openeye Name: [4-[2-(3-carbamoylphenyl)ethynyl]-2-methyl-phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(3-carbamoylphenyl)ethynyl]-2-methylphenyl] ester IUPAC Name: [4-[2-(3-carbamoylphenyl)ethynyl]-2-methylphenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(3-carbamoylphenyl)ethynyl]-2-methyl-phenyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=C(C=C(C=C1)C#CC2=CC(=CC=C2)C(=O)N)C

Isomeric SMILES

CCC(C)C(=O)OC1=C(C=C(C=C1)C#CC2=CC(=CC=C2)C(=O)N)C

InChI

InChI=1S/C21H21NO3/c1-4-14(2)21(24)25-19-11-10-17(12-15(19)3)9-8-16-6-5-7-18(13-16)20(22)23/h5-7,10-14H,4H2,1-3H3,(H2,22,23)