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

Systemtic Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]proline Formula: C20H22BrNO2 MolecularWeight: 388.29818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO2/c1-13-8-9-17(14(2)11-13)19(15-5-3-6-16(21)12-15)22-10-4-7-18(22)20(23)24/h3,5-6,8-9,11-12,18-19H,4,7,10H2,1-2H3,(H,23,24)