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

Systemtic Name: 1-[(3-bromophenyl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3,4-diethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-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=C2)Br)N3CCCC3C(=O)O)OCC

Isomeric SMILES

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

InChI

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