4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-(2-pyridyl)ethyl]pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-(2-pyridinyl)ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-(2-pyridyl)ethyl]pyrrolidine-3-carboxylic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(CN2CCC3=CC=CC=N3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(CN2CCC3=CC=CC=N3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C26H26N2O5/c1-31-20-8-5-17(6-9-20)25-24(26(29)30)21(18-7-10-22-23(14-18)33-16-32-22)15-28(25)13-11-19-4-2-3-12-27-19/h2-10,12,14,21,24-25H,11,13,15-16H2,1H3,(H,29,30)