(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(4-chloro-2-methylphenoxy)propanoate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)propionic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H24ClNO4/c1-15-13-19(23)9-10-20(15)28-16(2)22(26)27-14-17-5-7-18(8-6-17)21(25)24-11-3-4-12-24/h5-10,13,16H,3-4,11-12,14H2,1-2H3