3-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid

Systemtic Name: 3-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Openeye Name: 3-[5-[2-[5-methyl-2-(4-pyridyl)thiazol-4-yl]ethoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid CAS Name: 3-[5-[2-(5-methyl-2-pyridin-4-yl-4-thiazolyl)ethoxy]-2-[oxo(propoxy)methyl]-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid IUPAC Name: 3-[5-[2-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)ethoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid Traditional Name: 3-[5-[2-[5-methyl-2-(4-pyridyl)thiazol-4-yl]ethoxy]-2-propoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl]propionic acid Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)N1CCC2=C(C=CC(=C2C1)CCC(=O)O)OCCC3=C(SC(=N3)C4=CC=NC=C4)C

Isomeric SMILES

CCCOC(=O)N1CCC2=C(C=CC(=C2C1)CCC(=O)O)OCCC3=C(SC(=N3)C4=CC=NC=C4)C

InChI

InChI=1S/C27H31N3O5S/c1-3-15-35-27(33)30-14-10-21-22(17-30)19(5-7-25(31)32)4-6-24(21)34-16-11-23-18(2)36-26(29-23)20-8-12-28-13-9-20/h4,6,8-9,12-13H,3,5,7,10-11,14-17H2,1-2H3,(H,31,32)