methyl (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-4-methyl-pentanoate CAS Name: (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-4-methylpentanoate Traditional Name: (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-4-methyl-valeric acid methyl ester Formula: C27H30NO7+ MolecularWeight: 480.5296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)C(CC(C)C)C(=O)OC)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)[C@H](CC(C)C)C(=O)OC)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H29NO7/c1-15(2)11-20(27(30)31-4)28-13-19-21(34-14-28)8-6-18-25(29)24(16(3)35-26(18)19)17-5-7-22-23(12-17)33-10-9-32-22/h5-8,12,15,20H,9-11,13-14H2,1-4H3/p+1/t20-/m1/s1