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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]proline Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O)OCC

InChI

InChI=1S/C24H31NO4/c1-5-28-21-10-9-18(15-22(21)29-6-2)23(19-13-16(3)12-17(4)14-19)25-11-7-8-20(25)24(26)27/h9-10,12-15,20,23H,5-8,11H2,1-4H3,(H,26,27)