1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]proline Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C25H23NO5/c27-25(28)21-10-5-13-26(21)24(18-11-12-22-23(15-18)30-16-29-22)17-6-4-9-20(14-17)31-19-7-2-1-3-8-19/h1-4,6-9,11-12,14-15,21,24H,5,10,13,16H2,(H,27,28)