methyl 4-chloranyl-3-[3-(4-propan-2-ylphenyl)propanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[3-(4-propan-2-ylphenyl)propanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[3-(4-isopropylphenyl)propanoylamino]benzoate CAS Name: 4-chloro-3-[[1-oxo-3-(4-propan-2-ylphenyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[3-(4-propan-2-ylphenyl)propanoylamino]benzoate Traditional Name: 4-chloro-3-(3-p-cumenylpropanoylamino)benzoic acid methyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C20H22ClNO3/c1-13(2)15-7-4-14(5-8-15)6-11-19(23)22-18-12-16(20(24)25-3)9-10-17(18)21/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,22,23)