methyl 2-(9-cyclohexyl-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-cyclohexyl-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-cyclohexyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetate CAS Name: 2-(9-cyclohexyl-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-cyclohexyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetate Traditional Name: 2-(9-cyclohexyl-2-keto-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetic acid methyl ester Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)C4CCCCC4)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)C4CCCCC4)CC(=O)OC

InChI

InChI=1S/C21H25NO5/c1-13-15-8-9-18-17(11-22(12-26-18)14-6-4-3-5-7-14)20(15)27-21(24)16(13)10-19(23)25-2/h8-9,14H,3-7,10-12H2,1-2H3/p+1