methyl 2-(9-cyclooctyl-4-methyl-2-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)ethanoate

Systemtic Name: methyl 2-(9-cyclooctyl-4-methyl-2-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)ethanoate Openeye Name: methyl 2-(9-cyclooctyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetate CAS Name: 2-(9-cyclooctyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(9-cyclooctyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetate Traditional Name: 2-(9-cyclooctyl-2-keto-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetic acid methyl ester Formula: C23H30NO5+ MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)C4CCCCCCC4)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)C4CCCCCCC4)CC(=O)OC

InChI

InChI=1S/C23H29NO5/c1-15-17-10-11-20-19(22(17)29-23(26)18(15)12-21(25)27-2)13-24(14-28-20)16-8-6-4-3-5-7-9-16/h10-11,16H,3-9,12-14H2,1-2H3/p+1