1-[(3-oxidanyl-5-phenylmethoxy-phenyl)methyl]-1H-isoquinoline-2-carbaldehyde

Systemtic Name: 1-[(3-oxidanyl-5-phenylmethoxy-phenyl)methyl]-1H-isoquinoline-2-carbaldehyde Openeye Name: 1-[(3-benzyloxy-5-hydroxy-phenyl)methyl]-1H-isoquinoline-2-carbaldehyde CAS Name: 1-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-isoquinoline-2-carboxaldehyde IUPAC Name: 1-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-isoquinoline-2-carbaldehyde Traditional Name: 1-(3-benzoxy-5-hydroxy-benzyl)-1H-isoquinoline-2-carbaldehyde Formula: C24H21NO3 MolecularWeight: 371.42844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2)O)CC3C4=CC=CC=C4C=CN3C=O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2)O)CC3C4=CC=CC=C4C=CN3C=O

InChI

InChI=1S/C24H21NO3/c26-17-25-11-10-20-8-4-5-9-23(20)24(25)14-19-12-21(27)15-22(13-19)28-16-18-6-2-1-3-7-18/h1-13,15,17,24,27H,14,16H2