1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(p-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(p-tolyl)methyl]proline Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C20H22BrNO3/c1-13-5-7-14(8-6-13)19(22-11-3-4-17(22)20(23)24)16-12-15(21)9-10-18(16)25-2/h5-10,12,17,19H,3-4,11H2,1-2H3,(H,23,24)