1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-m-phenetyl-methyl]proline Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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