1-[(4-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-o-phenetyl-methyl]proline Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=C(C=C2)Br)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=C(C=C2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C20H22BrNO3/c1-2-25-18-8-4-3-6-16(18)19(14-9-11-15(21)12-10-14)22-13-5-7-17(22)20(23)24/h3-4,6,8-12,17,19H,2,5,7,13H2,1H3,(H,23,24)