1-[(5-bromanylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(5-bromo-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(5-bromo-2-thienyl)methyl]proline Formula: C23H22BrNO3S MolecularWeight: 472.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Br)C(=O)O

InChI

InChI=1S/C23H22BrNO3S/c24-21-12-11-20(29-21)22(25-13-5-10-19(25)23(26)27)17-8-4-9-18(14-17)28-15-16-6-2-1-3-7-16/h1-4,6-9,11-12,14,19,22H,5,10,13,15H2,(H,26,27)