8-[[bis(2-methylpropyl)azaniumyl]methyl]-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(diisobutylammonio)methyl]-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-6-ethyl-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-olate Traditional Name: 8-[(diisobutylammonio)methyl]-6-ethyl-4-keto-3-(1-methylbenzimidazol-2-yl)chromen-7-olate Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+](CC(C)C)CC(C)C)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+](CC(C)C)CC(C)C)[O-]

InChI

InChI=1S/C28H35N3O3/c1-7-19-12-20-26(33)22(28-29-23-10-8-9-11-24(23)30(28)6)16-34-27(20)21(25(19)32)15-31(13-17(2)3)14-18(4)5/h8-12,16-18,32H,7,13-15H2,1-6H3