3-[3,4-bis(2-phenylmethoxyethoxy)phenyl]-1-chloranyl-isoquinoline

Systemtic Name: 3-[3,4-bis(2-phenylmethoxyethoxy)phenyl]-1-chloranyl-isoquinoline Openeye Name: 3-[3,4-bis(2-benzyloxyethoxy)phenyl]-1-chloro-isoquinoline CAS Name: 3-[3,4-bis(2-phenylmethoxyethoxy)phenyl]-1-chloroisoquinoline IUPAC Name: 3-[3,4-bis(2-phenylmethoxyethoxy)phenyl]-1-chloroisoquinoline Traditional Name: 3-[3,4-bis(2-benzoxyethoxy)phenyl]-1-chloro-isoquinoline Formula: C33H30ClNO4 MolecularWeight: 540.0486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCOC2=C(C=C(C=C2)C3=CC4=CC=CC=C4C(=N3)Cl)OCCOCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COCCOC2=C(C=C(C=C2)C3=CC4=CC=CC=C4C(=N3)Cl)OCCOCC5=CC=CC=C5

InChI

InChI=1S/C33H30ClNO4/c34-33-29-14-8-7-13-27(29)21-30(35-33)28-15-16-31(38-19-17-36-23-25-9-3-1-4-10-25)32(22-28)39-20-18-37-24-26-11-5-2-6-12-26/h1-16,21-22H,17-20,23-24H2