1-[(5-chloranylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(5-chloro-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(5-chloro-2-thienyl)methyl]proline Formula: C23H22ClNO3S MolecularWeight: 427.94368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(S4)Cl)C(=O)O

InChI

InChI=1S/C23H22ClNO3S/c24-21-13-12-20(29-21)22(25-14-6-10-18(25)23(26)27)17-9-4-5-11-19(17)28-15-16-7-2-1-3-8-16/h1-5,7-9,11-13,18,22H,6,10,14-15H2,(H,26,27)