6-methoxy-5-pentoxy-2-[2-(4-phenylmethoxyphenyl)ethyl]isoquinolin-1-one

Systemtic Name: 6-methoxy-5-pentoxy-2-[2-(4-phenylmethoxyphenyl)ethyl]isoquinolin-1-one Openeye Name: 2-[2-(4-benzyloxyphenyl)ethyl]-6-methoxy-5-pentoxy-isoquinolin-1-one CAS Name: 6-methoxy-5-pentoxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-1-isoquinolinone IUPAC Name: 6-methoxy-5-pentoxy-2-[2-(4-phenylmethoxyphenyl)ethyl]isoquinolin-1-one Traditional Name: 5-amoxy-2-[2-(4-benzoxyphenyl)ethyl]-6-methoxy-isocarbostyril Formula: C30H33NO4 MolecularWeight: 471.58732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C1C=CN(C2=O)CCC3=CC=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1C=CN(C2=O)CCC3=CC=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C30H33NO4/c1-3-4-8-21-34-29-26-18-20-31(30(32)27(26)15-16-28(29)33-2)19-17-23-11-13-25(14-12-23)35-22-24-9-6-5-7-10-24/h5-7,9-16,18,20H,3-4,8,17,19,21-22H2,1-2H3