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

Systemtic Name: [3-heptyl-7-methyl-6,8-bis(oxidanylidene)-2-phenethyl-isoquinolin-7-yl] ethanoate Openeye Name: (3-heptyl-7-methyl-6,8-dioxo-2-phenethyl-7-isoquinolyl) acetate CAS Name: acetic acid (3-heptyl-7-methyl-6,8-dioxo-2-phenethyl-7-isoquinolinyl) ester IUPAC Name: (3-heptyl-7-methyl-6,8-dioxo-2-phenethylisoquinolin-7-yl) acetate Traditional Name: acetic acid (3-heptyl-6,8-diketo-7-methyl-2-phenethyl-7-isoquinolyl) ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCC3=CC=CC=C3)(C)OC(=O)C

Isomeric SMILES

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCC3=CC=CC=C3)(C)OC(=O)C

InChI

InChI=1S/C27H33NO4/c1-4-5-6-7-11-14-23-17-22-18-25(30)27(3,32-20(2)29)26(31)24(22)19-28(23)16-15-21-12-9-8-10-13-21/h8-10,12-13,17-19H,4-7,11,14-16H2,1-3H3