1-[(3-bromophenyl)-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(5-ethyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(5-ethyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(5-ethyl-2-pyridyl)methyl]proline Formula: C19H21BrN2O2 MolecularWeight: 389.28624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C19H21BrN2O2/c1-2-13-8-9-16(21-12-13)18(14-5-3-6-15(20)11-14)22-10-4-7-17(22)19(23)24/h3,5-6,8-9,11-12,17-18H,2,4,7,10H2,1H3,(H,23,24)