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

Systemtic Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]proline Formula: C24H22BrNO3 MolecularWeight: 452.34038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H22BrNO3/c25-19-13-11-17(12-14-19)23(26-15-5-10-22(26)24(27)28)18-6-4-9-21(16-18)29-20-7-2-1-3-8-20/h1-4,6-9,11-14,16,22-23H,5,10,15H2,(H,27,28)