2-(ethylamino)-3-[4-[2-(1-oxidanylideneisoquinolin-2-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-(ethylamino)-3-[4-[2-(1-oxidanylideneisoquinolin-2-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-(ethylamino)-3-[4-[2-(1-oxo-2-isoquinolyl)ethoxy]phenyl]propanoic acid CAS Name: 2-(ethylamino)-3-[4-[2-(1-oxo-2-isoquinolinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-(ethylamino)-3-[4-[2-(1-oxoisoquinolin-2-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-(ethylamino)-3-[4-[2-(1-keto-2-isoquinolyl)ethoxy]phenyl]propionic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(CC1=CC=C(C=C1)OCCN2C=CC3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CCNC(CC1=CC=C(C=C1)OCCN2C=CC3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C22H24N2O4/c1-2-23-20(22(26)27)15-16-7-9-18(10-8-16)28-14-13-24-12-11-17-5-3-4-6-19(17)21(24)25/h3-12,20,23H,2,13-15H2,1H3,(H,26,27)