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

Systemtic Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)OC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

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

InChI

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