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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]proline Formula: C23H29NO4 MolecularWeight: 383.48066

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-5-28-20-9-8-17(14-21(20)27-4)22(18-12-15(2)11-16(3)13-18)24-10-6-7-19(24)23(25)26/h8-9,11-14,19,22H,5-7,10H2,1-4H3,(H,25,26)