3-[3,4-bis(1-methoxyethoxy)phenyl]-1-chloranyl-isoquinoline

Systemtic Name: 3-[3,4-bis(1-methoxyethoxy)phenyl]-1-chloranyl-isoquinoline Openeye Name: 3-[3,4-bis(1-methoxyethoxy)phenyl]-1-chloro-isoquinoline CAS Name: 3-[3,4-bis(1-methoxyethoxy)phenyl]-1-chloroisoquinoline IUPAC Name: 3-[3,4-bis(1-methoxyethoxy)phenyl]-1-chloroisoquinoline Traditional Name: 3-[3,4-bis(1-methoxyethoxy)phenyl]-1-chloro-isoquinoline Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OC1=C(C=C(C=C1)C2=CC3=CC=CC=C3C(=N2)Cl)OC(C)OC

Isomeric SMILES

CC(OC)OC1=C(C=C(C=C1)C2=CC3=CC=CC=C3C(=N2)Cl)OC(C)OC

InChI

InChI=1S/C21H22ClNO4/c1-13(24-3)26-19-10-9-16(12-20(19)27-14(2)25-4)18-11-15-7-5-6-8-17(15)21(22)23-18/h5-14H,1-4H3