[3-heptyl-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-7-yl] benzoate

Systemtic Name: [3-heptyl-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-7-yl] benzoate Openeye Name: (2-benzyl-3-heptyl-7-methyl-6,8-dioxo-7-isoquinolyl) benzoate CAS Name: benzoic acid [3-heptyl-7-methyl-6,8-dioxo-2-(phenylmethyl)-7-isoquinolinyl] ester IUPAC Name: (2-benzyl-3-heptyl-7-methyl-6,8-dioxoisoquinolin-7-yl) benzoate Traditional Name: benzoic acid (2-benzyl-3-heptyl-6,8-diketo-7-methyl-7-isoquinolyl) ester Formula: C31H33NO4 MolecularWeight: 483.59802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC=CC=C3)(C)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC=CC=C3)(C)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H33NO4/c1-3-4-5-6-13-18-26-19-25-20-28(33)31(2,36-30(35)24-16-11-8-12-17-24)29(34)27(25)22-32(26)21-23-14-9-7-10-15-23/h7-12,14-17,19-20,22H,3-6,13,18,21H2,1-2H3