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

Systemtic Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]proline Formula: C22H26BrNO4 MolecularWeight: 448.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCC3C(=O)O)OCC

InChI

InChI=1S/C22H26BrNO4/c1-3-27-19-12-9-16(14-20(19)28-4-2)21(15-7-10-17(23)11-8-15)24-13-5-6-18(24)22(25)26/h7-12,14,18,21H,3-6,13H2,1-2H3,(H,25,26)