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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O)OCC

InChI

InChI=1S/C22H26BrNO4/c1-3-27-19-12-11-15(14-20(19)28-4-2)21(16-8-5-6-9-17(16)23)24-13-7-10-18(24)22(25)26/h5-6,8-9,11-12,14,18,21H,3-4,7,10,13H2,1-2H3,(H,25,26)