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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)N4CCCC4C(=O)O)C

Isomeric SMILES

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

InChI

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