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

Systemtic Name: methyl 2-(2-ethynylphenyl)-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-(2-ethynylphenyl)-5-(isobutylcarbamoyl)benzoate CAS Name: 2-(2-ethynylphenyl)-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-ethynylphenyl)-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-(2-ethynylphenyl)-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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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)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C#C)C(=O)OC

InChI

InChI=1S/C21H21NO3/c1-5-15-8-6-7-9-17(15)18-11-10-16(12-19(18)21(24)25-4)20(23)22-13-14(2)3/h1,6-12,14H,13H2,2-4H3,(H,22,23)