1-[(5-chloranylthiophen-2-yl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(3-phenoxyphenyl)methyl]proline Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Cl)C(=O)O

InChI

InChI=1S/C22H20ClNO3S/c23-20-12-11-19(28-20)21(24-13-5-10-18(24)22(25)26)15-6-4-9-17(14-15)27-16-7-2-1-3-8-16/h1-4,6-9,11-12,14,18,21H,5,10,13H2,(H,25,26)