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

Systemtic Name: methyl 2-[2-(4-cyanophenoxy)-4-methyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-[2-(4-cyanophenoxy)-4-methyl-phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-(4-cyanophenoxy)-4-methylphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-cyanophenoxy)-4-methylphenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-(4-cyanophenoxy)-4-methyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)OC)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)OC)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H26N2O4/c1-17(2)16-29-26(30)20-8-12-22(24(14-20)27(31)32-4)23-11-5-18(3)13-25(23)33-21-9-6-19(15-28)7-10-21/h5-14,17H,16H2,1-4H3,(H,29,30)