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

Systemtic Name: 2-[4-[(6-methoxy-4-propan-2-yloxy-quinolin-3-yl)methoxy]phenyl]sulfanyl-2-phenyl-propanoic acid Openeye Name: 2-[4-[(4-isopropoxy-6-methoxy-3-quinolyl)methoxy]phenyl]sulfanyl-2-phenyl-propanoic acid CAS Name: 2-[[4-[(6-methoxy-4-propan-2-yloxy-3-quinolinyl)methoxy]phenyl]thio]-2-phenylpropanoic acid IUPAC Name: 2-[4-[(6-methoxy-4-propan-2-yloxyquinolin-3-yl)methoxy]phenyl]sulfanyl-2-phenylpropanoic acid Traditional Name: 2-[[4-[(4-isopropoxy-6-methoxy-3-quinolyl)methoxy]phenyl]thio]-2-phenyl-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)SC(C)(C4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO5S/c1-19(2)35-27-20(17-30-26-15-12-23(33-4)16-25(26)27)18-34-22-10-13-24(14-11-22)36-29(3,28(31)32)21-8-6-5-7-9-21/h5-17,19H,18H2,1-4H3,(H,31,32)