1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3,5-dimethylphenyl)methyl]proline Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCC4C(=O)O)C

InChI

InChI=1S/C27H29NO3/c1-19-15-20(2)17-23(16-19)26(28-14-6-9-25(28)27(29)30)22-10-12-24(13-11-22)31-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,15-17,25-26H,6,9,14,18H2,1-2H3,(H,29,30)