1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]proline Formula: C25H25NO4 MolecularWeight: 403.4703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C25H25NO4/c1-29-21-12-5-8-18(16-21)24(26-15-7-14-23(26)25(27)28)19-9-6-13-22(17-19)30-20-10-3-2-4-11-20/h2-6,8-13,16-17,23-24H,7,14-15H2,1H3,(H,27,28)