1-[(3-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)Br)N3CCCC3C(=O)O

Isomeric SMILES

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

InChI

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