4-[4-methyl-2-oxidanylidene-3-(phenylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl]benzoic acid

Systemtic Name: 4-[4-methyl-2-oxidanylidene-3-(phenylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl]benzoic acid Openeye Name: 4-(3-benzyl-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid CAS Name: 4-[4-methyl-2-oxo-3-(phenylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl]benzoic acid IUPAC Name: 4-(3-benzyl-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid Traditional Name: 4-(3-benzyl-2-keto-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2CN(CO3)C4=CC=C(C=C4)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2CN(CO3)C4=CC=C(C=C4)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C26H21NO5/c1-16-20-11-12-23-22(14-27(15-31-23)19-9-7-18(8-10-19)25(28)29)24(20)32-26(30)21(16)13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,28,29)