[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] octanoate

Systemtic Name: [3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] octanoate Openeye Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] octanoate CAS Name: octanoic acid [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] ester IUPAC Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] octanoate Traditional Name: caprylic acid [3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl] ester Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=CC(=C1)CC2=CNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=CC(=C1)CC2=CNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C24H27NO3/c1-2-3-4-5-6-14-23(26)28-20-11-9-10-18(16-20)15-19-17-25-24(27)22-13-8-7-12-21(19)22/h7-13,16-17H,2-6,14-15H2,1H3,(H,25,27)