1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]proline Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO6/c1-4-35-27-17-21(12-14-26(27)36-19-20-9-6-5-7-10-20)28(30-16-8-11-24(30)29(31)32)23-18-22(33-2)13-15-25(23)34-3/h5-7,9-10,12-15,17-18,24,28H,4,8,11,16,19H2,1-3H3,(H,31,32)