[3-butyl-2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate

Systemtic Name: [3-butyl-2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] propanoate Openeye Name: [3-butyl-2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-dioxo-7-isoquinolyl] propanoate CAS Name: propanoic acid [3-butyl-2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-2-[(4-methoxyphenyl)methyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] propanoate Traditional Name: propionic acid (3-butyl-6,8-diketo-7-methyl-2-p-anisyl-7-isoquinolyl) ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-5-7-8-19-13-18-14-22(27)25(3,31-23(28)6-2)24(29)21(18)16-26(19)15-17-9-11-20(30-4)12-10-17/h9-14,16H,5-8,15H2,1-4H3