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

Systemtic Name: [3-butyl-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-7-yl] propanoate Openeye Name: (2-benzyl-3-butyl-7-methyl-6,8-dioxo-7-isoquinolyl) propanoate CAS Name: propanoic acid [3-butyl-7-methyl-6,8-dioxo-2-(phenylmethyl)-7-isoquinolinyl] ester IUPAC Name: (2-benzyl-3-butyl-7-methyl-6,8-dioxoisoquinolin-7-yl) propanoate Traditional Name: propionic acid (2-benzyl-3-butyl-6,8-diketo-7-methyl-7-isoquinolyl) ester Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC=CC=C3)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=CC=CC=C3)(C)OC(=O)CC

InChI

InChI=1S/C24H27NO4/c1-4-6-12-19-13-18-14-21(26)24(3,29-22(27)5-2)23(28)20(18)16-25(19)15-17-10-8-7-9-11-17/h7-11,13-14,16H,4-6,12,15H2,1-3H3