methyl 2-(9-cyclopentyl-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-cyclopentyl-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-cyclopentyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetate CAS Name: 2-(9-cyclopentyl-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-cyclopentyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetate Traditional Name: 2-(9-cyclopentyl-2-keto-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)acetic acid methyl ester Formula: C20H24NO5+ MolecularWeight: 358.40826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)C4CCCC4)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)C4CCCC4)CC(=O)OC

InChI

InChI=1S/C20H23NO5/c1-12-14-7-8-17-16(10-21(11-25-17)13-5-3-4-6-13)19(14)26-20(23)15(12)9-18(22)24-2/h7-8,13H,3-6,9-11H2,1-2H3/p+1