3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propan-2-ylsulfonyl-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-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Openeye Name: 3-[2-isopropylsulfonyl-5-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid CAS Name: 3-[5-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-propan-2-ylsulfonyl-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-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Traditional Name: 3-[2-isopropylsulfonyl-5-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinolin-8-yl]propionic acid Formula: C27H32N2O6S MolecularWeight: 512.61778

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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(C)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(C)C

InChI

InChI=1S/C27H32N2O6S/c1-18(2)36(32,33)29-15-13-22-23(17-29)20(10-12-26(30)31)9-11-25(22)34-16-14-24-19(3)35-27(28-24)21-7-5-4-6-8-21/h4-9,11,18H,10,12-17H2,1-3H3,(H,30,31)