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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-pyridyl)methyl]proline Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3/c1-2-25-17-8-7-14(20)11-15(17)18(13-5-3-9-21-12-13)22-10-4-6-16(22)19(23)24/h3,5,7-9,11-12,16,18H,2,4,6,10H2,1H3,(H,23,24)