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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(o-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(2-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(o-tolyl)methyl]proline Formula: C28H31NO4 MolecularWeight: 445.55004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO4/c1-3-32-26-18-22(15-16-25(26)33-19-21-11-5-4-6-12-21)27(23-13-8-7-10-20(23)2)29-17-9-14-24(29)28(30)31/h4-8,10-13,15-16,18,24,27H,3,9,14,17,19H2,1-2H3,(H,30,31)