1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]proline Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C27H29NO6/c1-31-23-16-19(17-24(32-2)26(23)33-3)25(28-14-8-13-22(28)27(29)30)18-9-7-12-21(15-18)34-20-10-5-4-6-11-20/h4-7,9-12,15-17,22,25H,8,13-14H2,1-3H3,(H,29,30)