1-[(3-bromophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]proline Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4/c1-3-27-19-13-15(9-10-18(19)26-2)20(14-6-4-7-16(22)12-14)23-11-5-8-17(23)21(24)25/h4,6-7,9-10,12-13,17,20H,3,5,8,11H2,1-2H3,(H,24,25)