1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(4-methoxyphenyl)methyl]proline Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-14-6-7-15(2)18(13-14)20(16-8-10-17(25-3)11-9-16)22-12-4-5-19(22)21(23)24/h6-11,13,19-20H,4-5,12H2,1-3H3,(H,23,24)