2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoate IUPAC Name: 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-(isobutylcarbamoyl)benzoate Formula: C27H21N2O3- MolecularWeight: 421.46724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C#CC3=CC=C(C=C3)C#N)C(=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C#CC3=CC=C(C=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C27H22N2O3/c1-18(2)17-29-26(30)22-13-14-24(25(15-22)27(31)32)23-6-4-3-5-21(23)12-11-19-7-9-20(16-28)10-8-19/h3-10,13-15,18H,17H2,1-2H3,(H,29,30)(H,31,32)/p-1