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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-pyridyl)methyl]proline Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3/c1-24-16-7-6-13(19)10-14(16)17(12-4-2-8-20-11-12)21-9-3-5-15(21)18(22)23/h2,4,6-8,10-11,15,17H,3,5,9H2,1H3,(H,22,23)