1-[(5-bromanyl-2-ethoxy-phenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-methoxyphenyl)methyl]proline Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4/c1-3-27-19-11-8-15(22)13-17(19)20(14-6-9-16(26-2)10-7-14)23-12-4-5-18(23)21(24)25/h6-11,13,18,20H,3-5,12H2,1-2H3,(H,24,25)