[6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 2,2-dimethylpropanoate

Systemtic Name: [6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [6-ethyl-2-isopropyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-ethyl-3-(1-methyl-2-benzimidazolyl)-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-2-propan-2-ylchromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-ethyl-2-isopropyl-4-keto-3-(1-methylbenzimidazol-2-yl)chromen-7-yl] ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4N3C)OC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4N3C)OC(=O)C(C)(C)C

InChI

InChI=1S/C27H30N2O4/c1-8-16-13-17-21(14-20(16)33-26(31)27(4,5)6)32-24(15(2)3)22(23(17)30)25-28-18-11-9-10-12-19(18)29(25)7/h9-15H,8H2,1-7H3