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

Systemtic Name: methyl 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[2-(4-cyanophenyl)ethynyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C28H24N2O3 MolecularWeight: 436.50176

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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)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C#CC3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C28H24N2O3/c1-19(2)18-30-27(31)23-14-15-25(26(16-23)28(32)33-3)24-7-5-4-6-22(24)13-12-20-8-10-21(17-29)11-9-20/h4-11,14-16,19H,18H2,1-3H3,(H,30,31)