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

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

Isomeric SMILES

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

InChI

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