1-[(3-ethoxy-4-methoxy-phenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-pyridyl)methyl]proline Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-3-26-18-12-14(8-9-17(18)25-2)19(15-6-4-10-21-13-15)22-11-5-7-16(22)20(23)24/h4,6,8-10,12-13,16,19H,3,5,7,11H2,1-2H3,(H,23,24)