2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-2-(3-ethoxycarbonylpyridin-2-yl)ethanoic acid

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-2-(3-ethoxycarbonylpyridin-2-yl)ethanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-2-(3-ethoxycarbonyl-2-pyridyl)acetic acid CAS Name: 2-[1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]-2-(3-ethoxycarbonyl-2-pyridinyl)acetic acid IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-2-(3-ethoxycarbonylpyridin-2-yl)acetic acid Traditional Name: 2-(3-carbethoxy-2-pyridyl)-2-[1-(4-chlorobenzyl)pyrrolidin-3-yl]acetic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)C(C2CCN(C2)CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)C(C2CCN(C2)CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H23ClN2O4/c1-2-28-21(27)17-4-3-10-23-19(17)18(20(25)26)15-9-11-24(13-15)12-14-5-7-16(22)8-6-14/h3-8,10,15,18H,2,9,11-13H2,1H3,(H,25,26)