3-[4-[(6-methoxy-4-propan-2-yloxy-quinolin-3-yl)methoxy]phenyl]-2-phenylsulfanyl-propanoic acid

Systemtic Name: 3-[4-[(6-methoxy-4-propan-2-yloxy-quinolin-3-yl)methoxy]phenyl]-2-phenylsulfanyl-propanoic acid Openeye Name: 3-[4-[(4-isopropoxy-6-methoxy-3-quinolyl)methoxy]phenyl]-2-phenylsulfanyl-propanoic acid CAS Name: 3-[4-[(6-methoxy-4-propan-2-yloxy-3-quinolinyl)methoxy]phenyl]-2-(phenylthio)propanoic acid IUPAC Name: 3-[4-[(6-methoxy-4-propan-2-yloxyquinolin-3-yl)methoxy]phenyl]-2-phenylsulfanylpropanoic acid Traditional Name: 3-[4-[(4-isopropoxy-6-methoxy-3-quinolyl)methoxy]phenyl]-2-(phenylthio)propionic acid Formula: C29H29NO5S MolecularWeight: 503.60926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C=C(C=CC2=NC=C1COC3=CC=C(C=C3)CC(C(=O)O)SC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)OC1=C2C=C(C=CC2=NC=C1COC3=CC=C(C=C3)CC(C(=O)O)SC4=CC=CC=C4)OC

InChI

InChI=1S/C29H29NO5S/c1-19(2)35-28-21(17-30-26-14-13-23(33-3)16-25(26)28)18-34-22-11-9-20(10-12-22)15-27(29(31)32)36-24-7-5-4-6-8-24/h4-14,16-17,19,27H,15,18H2,1-3H3,(H,31,32)