butyl 4-(7-methyl-5-oxidanylidene-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-10-yl)benzoate

Systemtic Name: butyl 4-(7-methyl-5-oxidanylidene-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-10-yl)benzoate Openeye Name: butyl 4-(7-methyl-5-oxo-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-10-yl)benzoate CAS Name: 4-(7-methyl-5-oxo-9,11-dihydro[2]benzopyrano[4,3-g][1,3]benzoxazin-10-yl)benzoic acid butyl ester IUPAC Name: butyl 4-(7-methyl-5-oxo-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-10-yl)benzoate Traditional Name: 4-(5-keto-7-methyl-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-10-yl)benzoic acid butyl ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2CC3=C(C(=C4C(=C3)C5=CC=CC=C5C(=O)O4)C)OC2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2CC3=C(C(=C4C(=C3)C5=CC=CC=C5C(=O)O4)C)OC2

InChI

InChI=1S/C27H25NO5/c1-3-4-13-31-26(29)18-9-11-20(12-10-18)28-15-19-14-23-21-7-5-6-8-22(21)27(30)33-25(23)17(2)24(19)32-16-28/h5-12,14H,3-4,13,15-16H2,1-2H3