1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(m-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(m-tolyl)methyl]proline Formula: C26H27NO3 MolecularWeight: 401.49748

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO3/c1-19-7-5-10-22(17-19)25(27-16-6-11-24(27)26(28)29)21-12-14-23(15-13-21)30-18-20-8-3-2-4-9-20/h2-5,7-10,12-15,17,24-25H,6,11,16,18H2,1H3,(H,28,29)