hexyl 1,3-bis(oxidanylidene)-2-(3-propan-2-ylphenyl)-4H-isoquinoline-4-carboxylate

Systemtic Name: hexyl 1,3-bis(oxidanylidene)-2-(3-propan-2-ylphenyl)-4H-isoquinoline-4-carboxylate Openeye Name: hexyl 2-(3-isopropylphenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 1,3-dioxo-2-(3-propan-2-ylphenyl)-4H-isoquinoline-4-carboxylic acid hexyl ester IUPAC Name: hexyl 1,3-dioxo-2-(3-propan-2-ylphenyl)-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-m-cumenyl-4H-isoquinoline-4-carboxylic acid hexyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(C)C

Isomeric SMILES

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(C)C

InChI

InChI=1S/C25H29NO4/c1-4-5-6-9-15-30-25(29)22-20-13-7-8-14-21(20)23(27)26(24(22)28)19-12-10-11-18(16-19)17(2)3/h7-8,10-14,16-17,22H,4-6,9,15H2,1-3H3