[1-(2-butyl-4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-imidazol-1-yl-ethyl] 4-chloranylbenzoate

Systemtic Name: [1-(2-butyl-4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-imidazol-1-yl-ethyl] 4-chloranylbenzoate Openeye Name: [1-(2-butyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-imidazol-1-yl-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-(2-butyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: [1-(2-butyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-imidazol-1-ylethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-(2-butyl-3-keto-4-methyl-1,4-benzoxazin-6-yl)-2-imidazol-1-yl-ethyl] ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(C2=C(O1)C=CC(=C2)C(CN3C=CN=C3)OC(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCCCC1C(=O)N(C2=C(O1)C=CC(=C2)C(CN3C=CN=C3)OC(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H26ClN3O4/c1-3-4-5-22-24(30)28(2)20-14-18(8-11-21(20)32-22)23(15-29-13-12-27-16-29)33-25(31)17-6-9-19(26)10-7-17/h6-14,16,22-23H,3-5,15H2,1-2H3