1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-o-phenetyl-methyl]proline Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O

InChI

InChI=1S/C22H27NO3/c1-4-26-20-10-6-5-8-18(20)21(17-13-15(2)12-16(3)14-17)23-11-7-9-19(23)22(24)25/h5-6,8,10,12-14,19,21H,4,7,9,11H2,1-3H3,(H,24,25)