2-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-6-pentoxy-isoquinolin-1-one

Systemtic Name: 2-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-6-pentoxy-isoquinolin-1-one Openeye Name: 2-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-6-pentoxy-isoquinolin-1-one CAS Name: 2-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-6-pentoxy-1-isoquinolinone IUPAC Name: 2-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-6-pentoxyisoquinolin-1-one Traditional Name: 6-amoxy-2-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-isocarbostyril Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2C(=C1)C=CN(C2=O)CCC3=CC=C(C=C3)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C2C(=C1)C=CN(C2=O)CCC3=CC=C(C=C3)O)OC

InChI

InChI=1S/C23H27NO4/c1-3-4-5-14-28-22-15-18-11-13-24(23(26)20(18)16-21(22)27-2)12-10-17-6-8-19(25)9-7-17/h6-9,11,13,15-16,25H,3-5,10,12,14H2,1-2H3