1-[(5-bromanyl-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]proline Formula: C20H20BrCl2NO3 MolecularWeight: 473.1877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrCl2NO3/c1-2-27-18-8-6-13(21)11-14(18)19(12-5-7-15(22)16(23)10-12)24-9-3-4-17(24)20(25)26/h5-8,10-11,17,19H,2-4,9H2,1H3,(H,25,26)