2-[5-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-keto-5-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]pyrrolidin-3-yl]acetic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC(=C2)C3=CC=C(C=C3)OCC4CC(C(=O)N4)CC(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C=CC(=C2)C3=CC=C(C=C3)OCC4CC(C(=O)N4)CC(=O)O

InChI

InChI=1S/C23H26N2O4/c1-25-9-8-17-10-16(2-3-18(17)13-25)15-4-6-21(7-5-15)29-14-20-11-19(12-22(26)27)23(28)24-20/h2-7,10,19-20H,8-9,11-14H2,1H3,(H,24,28)(H,26,27)