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

Systemtic Name: 2-methyl-3-[4-[3-(1-oxidanylideneisoquinolin-2-yl)propyl]phenyl]-2-propoxy-propanoic acid Openeye Name: 2-methyl-3-[4-[3-(1-oxo-2-isoquinolyl)propyl]phenyl]-2-propoxy-propanoic acid CAS Name: 2-methyl-3-[4-[3-(1-oxo-2-isoquinolinyl)propyl]phenyl]-2-propoxypropanoic acid IUPAC Name: 2-methyl-3-[4-[3-(1-oxoisoquinolin-2-yl)propyl]phenyl]-2-propoxypropanoic acid Traditional Name: 3-[4-[3-(1-keto-2-isoquinolyl)propyl]phenyl]-2-methyl-2-propoxy-propionic acid Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4/c1-3-17-30-25(2,24(28)29)18-20-12-10-19(11-13-20)7-6-15-26-16-14-21-8-4-5-9-22(21)23(26)27/h4-5,8-14,16H,3,6-7,15,17-18H2,1-2H3,(H,28,29)