2-(2-ethynylphenyl)-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: 2-(2-ethynylphenyl)-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: 2-(2-ethynylphenyl)-5-(isobutylcarbamoyl)benzoate CAS Name: 2-(2-ethynylphenyl)-5-[(2-methylpropylamino)-oxomethyl]benzoate IUPAC Name: 2-(2-ethynylphenyl)-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-(2-ethynylphenyl)-5-(isobutylcarbamoyl)benzoate Formula: C20H18NO3- MolecularWeight: 320.36182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C#C)C(=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C#C)C(=O)[O-]

InChI

InChI=1S/C20H19NO3/c1-4-14-7-5-6-8-16(14)17-10-9-15(11-18(17)20(23)24)19(22)21-12-13(2)3/h1,5-11,13H,12H2,2-3H3,(H,21,22)(H,23,24)/p-1