1-[(5-bromanyl-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]proline Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO3/c1-13-9-14(2)11-15(10-13)20(23-8-4-5-18(23)21(24)25)17-12-16(22)6-7-19(17)26-3/h6-7,9-12,18,20H,4-5,8H2,1-3H3,(H,24,25)