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

Systemtic Name: [3-butyl-2-cyclopentyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: (3-butyl-2-cyclopentyl-7-methyl-6,8-dioxo-7-isoquinolyl) propanoate CAS Name: propanoic acid (3-butyl-2-cyclopentyl-7-methyl-6,8-dioxo-7-isoquinolinyl) ester IUPAC Name: (3-butyl-2-cyclopentyl-7-methyl-6,8-dioxoisoquinolin-7-yl) propanoate Traditional Name: propionic acid (3-butyl-2-cyclopentyl-6,8-diketo-7-methyl-7-isoquinolyl) ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1C3CCCC3)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CN1C3CCCC3)(C)OC(=O)CC

InChI

InChI=1S/C22H29NO4/c1-4-6-9-17-12-15-13-19(24)22(3,27-20(25)5-2)21(26)18(15)14-23(17)16-10-7-8-11-16/h12-14,16H,4-11H2,1-3H3