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

Systemtic Name: methyl 2-[2-[2-(4-ethanimidoylphenyl)ethynyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-[2-[2-(4-ethanimidoylphenyl)ethynyl]phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[2-[4-(1-iminoethyl)phenyl]ethynyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-ethanimidoylphenyl)ethynyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[2-(4-acetimidoylphenyl)ethynyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C29H28N2O3 MolecularWeight: 452.54422

Click to see the large picture

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)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)C(=O)OC

InChI

InChI=1S/C29H28N2O3/c1-19(2)18-31-28(32)24-15-16-26(27(17-24)29(33)34-4)25-8-6-5-7-23(25)14-11-21-9-12-22(13-10-21)20(3)30/h5-10,12-13,15-17,19,30H,18H2,1-4H3,(H,31,32)