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

Systemtic Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-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=CC=C2Br)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2Br)N3CCCC3C(=O)O

InChI

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