6-butyl-3,9,10-tris(oxidanyl)-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde

Systemtic Name: 6-butyl-3,9,10-tris(oxidanyl)-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde Openeye Name: 6-butyl-3,9,10-trihydroxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde CAS Name: 6-butyl-3,9,10-trihydroxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carboxaldehyde IUPAC Name: 6-butyl-3,9,10-trihydroxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde Traditional Name: 6-butyl-3,9,10-trihydroxy-5,6-dihydroindol[2,1-a]isoquinoline-12-carbaldehyde Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=C(C=CC(=C2)O)C3=C(C4=CC(=C(C=C4N13)O)O)C=O

Isomeric SMILES

CCCCC1CC2=C(C=CC(=C2)O)C3=C(C4=CC(=C(C=C4N13)O)O)C=O

InChI

InChI=1S/C21H21NO4/c1-2-3-4-13-7-12-8-14(24)5-6-15(12)21-17(11-23)16-9-19(25)20(26)10-18(16)22(13)21/h5-6,8-11,13,24-26H,2-4,7H2,1H3