1-[(5-bromanyl-2-methoxy-phenyl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-chlorophenyl)methyl]proline Formula: C19H19BrClNO3 MolecularWeight: 424.71606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)Cl)N3CCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)Cl)N3CCCC3C(=O)O

InChI

InChI=1S/C19H19BrClNO3/c1-25-17-8-7-13(20)11-15(17)18(12-4-2-5-14(21)10-12)22-9-3-6-16(22)19(23)24/h2,4-5,7-8,10-11,16,18H,3,6,9H2,1H3,(H,23,24)