1-[(4-ethoxy-3-methoxy-phenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(p-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(p-tolyl)methyl]proline Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-4-27-19-12-11-17(14-20(19)26-3)21(16-9-7-15(2)8-10-16)23-13-5-6-18(23)22(24)25/h7-12,14,18,21H,4-6,13H2,1-3H3,(H,24,25)