3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid

Systemtic Name: 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Openeye Name: 3-[5-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid CAS Name: 3-[5-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid IUPAC Name: 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Traditional Name: 3-[2-mesyl-5-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinolin-8-yl]propionic acid Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4CCN(CC4=C(C=C3)CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4CCN(CC4=C(C=C3)CCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C25H28N2O6S/c1-17-22(26-25(33-17)19-6-4-3-5-7-19)13-15-32-23-10-8-18(9-11-24(28)29)21-16-27(34(2,30)31)14-12-20(21)23/h3-8,10H,9,11-16H2,1-2H3,(H,28,29)