8-[4-[4-(oxan-2-yloxymethyl)-2,6-dipropoxy-phenyl]phenyl]-2H-isoquinolin-3-one

Systemtic Name: 8-[4-[4-(oxan-2-yloxymethyl)-2,6-dipropoxy-phenyl]phenyl]-2H-isoquinolin-3-one Openeye Name: 8-[4-[2,6-dipropoxy-4-(tetrahydropyran-2-yloxymethyl)phenyl]phenyl]-2H-isoquinolin-3-one CAS Name: 8-[4-[4-(2-oxanyloxymethyl)-2,6-dipropoxyphenyl]phenyl]-2H-isoquinolin-3-one IUPAC Name: 8-[4-[4-(oxan-2-yloxymethyl)-2,6-dipropoxyphenyl]phenyl]-2H-isoquinolin-3-one Traditional Name: 8-[4-[2,6-dipropoxy-4-(tetrahydropyran-2-yloxymethyl)phenyl]phenyl]-3-isoquinolone Formula: C33H37NO5 MolecularWeight: 527.65058

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1C2=CC=C(C=C2)C3=CC=CC4=CC(=O)NC=C43)OCCC)COC5CCCCO5

Isomeric SMILES

CCCOC1=CC(=CC(=C1C2=CC=C(C=C2)C3=CC=CC4=CC(=O)NC=C43)OCCC)COC5CCCCO5

InChI

InChI=1S/C33H37NO5/c1-3-15-36-29-18-23(22-39-32-10-5-6-17-38-32)19-30(37-16-4-2)33(29)25-13-11-24(12-14-25)27-9-7-8-26-20-31(35)34-21-28(26)27/h7-9,11-14,18-21,32H,3-6,10,15-17,22H2,1-2H3,(H,34,35)