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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(m-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(3-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(m-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=CC(=C2)C)N3CCCC3C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-4-27-19-11-10-17(14-20(19)26-3)21(16-8-5-7-15(2)13-16)23-12-6-9-18(23)22(24)25/h5,7-8,10-11,13-14,18,21H,4,6,9,12H2,1-3H3,(H,24,25)