(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C)C(C)(C)C

InChI

InChI=1S/C29H31NO4/c1-18-15-21(29(3,4)5)16-19(2)24(18)17-34-25(31)13-8-14-30-27(32)22-11-6-9-20-10-7-12-23(26(20)22)28(30)33/h6-7,9-12,15-16H,8,13-14,17H2,1-5H3