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

Systemtic Name: 2-ethoxy-3-[4-[3-(1-oxidanylideneisoquinolin-2-yl)propyl]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[3-(1-oxo-2-isoquinolyl)propyl]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[3-(1-oxo-2-isoquinolinyl)propyl]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[3-(1-oxoisoquinolin-2-yl)propyl]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[3-(1-keto-2-isoquinolyl)propyl]phenyl]propionic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)CCCN2C=CC3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)CCCN2C=CC3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C23H25NO4/c1-2-28-21(23(26)27)16-18-11-9-17(10-12-18)6-5-14-24-15-13-19-7-3-4-8-20(19)22(24)25/h3-4,7-13,15,21H,2,5-6,14,16H2,1H3,(H,26,27)