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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O

InChI

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