1-[(2,3-dimethoxyphenyl)-(4-ethylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(4-ethylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(4-ethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(4-ethylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(4-ethylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(4-ethylphenyl)methyl]proline Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C22H27NO4/c1-4-15-10-12-16(13-11-15)20(23-14-6-8-18(23)22(24)25)17-7-5-9-19(26-2)21(17)27-3/h5,7,9-13,18,20H,4,6,8,14H2,1-3H3,(H,24,25)