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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C)N3CCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C)N3CCCC3C(=O)O)OC

InChI

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