methyl 2-(9-cycloheptyl-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-cycloheptyl-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-cycloheptyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetate CAS Name: 2-(9-cycloheptyl-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-cycloheptyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetate Traditional Name: 2-(9-cycloheptyl-2-keto-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetic acid methyl ester Formula: C22H28NO5+ MolecularWeight: 386.46142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)C4CCCCCC4)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)C4CCCCCC4)CC(=O)OC

InChI

InChI=1S/C22H27NO5/c1-14-16-9-10-19-18(21(16)28-22(25)17(14)11-20(24)26-2)12-23(13-27-19)15-7-5-3-4-6-8-15/h9-10,15H,3-8,11-13H2,1-2H3/p+1