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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[asaryl-(3,5-dimethylphenyl)methyl]proline Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC3C(=O)O)C

InChI

InChI=1S/C23H29NO5/c1-14-9-15(2)11-16(10-14)22(24-8-6-7-18(24)23(25)26)17-12-20(28-4)21(29-5)13-19(17)27-3/h9-13,18,22H,6-8H2,1-5H3,(H,25,26)