(3-methyl-4-propan-2-yl-phenyl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid (4-isopropyl-3-methyl-phenyl) ester Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(C)C

InChI

InChI=1S/C26H25NO4/c1-16(2)20-13-12-19(15-17(20)3)31-23(28)11-6-14-27-25(29)21-9-4-7-18-8-5-10-22(24(18)21)26(27)30/h4-5,7-10,12-13,15-16H,6,11,14H2,1-3H3