[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C27H21NO5 MolecularWeight: 439.45934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C27H21NO5/c1-16-12-18-13-17(10-11-22(18)31-16)25-14-19(28-33-25)15-30-27(29)26-20-6-2-4-8-23(20)32-24-9-5-3-7-21(24)26/h2-11,13-14,16,26H,12,15H2,1H3