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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]proline Formula: C26H27NO3 MolecularWeight: 401.49748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O)C

InChI

InChI=1S/C26H27NO3/c1-18-14-19(2)16-21(15-18)25(27-13-7-12-24(27)26(28)29)20-8-6-11-23(17-20)30-22-9-4-3-5-10-22/h3-6,8-11,14-17,24-25H,7,12-13H2,1-2H3,(H,28,29)