2-[5-[(4-isoquinolin-6-ylphenoxy)methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[(4-isoquinolin-6-ylphenoxy)methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(6-isoquinolyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(6-isoquinolinyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[(4-isoquinolin-6-ylphenoxy)methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(6-isoquinolyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1COC2=CC=C(C=C2)C3=CC4=C(C=C3)C=NC=C4)CC(=O)O

Isomeric SMILES

C1C(C(=O)NC1COC2=CC=C(C=C2)C3=CC4=C(C=C3)C=NC=C4)CC(=O)O

InChI

InChI=1S/C22H20N2O4/c25-21(26)11-18-10-19(24-22(18)27)13-28-20-5-3-14(4-6-20)15-1-2-17-12-23-8-7-16(17)9-15/h1-9,12,18-19H,10-11,13H2,(H,24,27)(H,25,26)