1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-bromophenyl)methyl]proline Formula: C25H24BrNO3 MolecularWeight: 466.36696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrNO3/c26-21-9-4-8-20(16-21)24(27-15-5-10-23(27)25(28)29)19-11-13-22(14-12-19)30-17-18-6-2-1-3-7-18/h1-4,6-9,11-14,16,23-24H,5,10,15,17H2,(H,28,29)