methyl 2-[7-(3-azanyl-4-phosphonooxy-butoxy)-2-oxidanylidene-chromen-4-yl]ethanoate

Systemtic Name: methyl 2-[7-(3-azanyl-4-phosphonooxy-butoxy)-2-oxidanylidene-chromen-4-yl]ethanoate Openeye Name: methyl 2-[7-(3-amino-4-phosphonooxy-butoxy)-2-oxo-chromen-4-yl]acetate CAS Name: 2-[7-(3-amino-4-phosphonooxybutoxy)-2-oxo-1-benzopyran-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-(3-amino-4-phosphonooxybutoxy)-2-oxochromen-4-yl]acetate Traditional Name: 2-[7-(3-amino-4-phosphonooxy-butoxy)-2-keto-chromen-4-yl]acetic acid methyl ester Formula: C16H20NO9P MolecularWeight: 401.305061

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)OCCC(COP(=O)(O)O)N

Isomeric SMILES

COC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)OCCC(COP(=O)(O)O)N

InChI

InChI=1S/C16H20NO9P/c1-23-15(18)6-10-7-16(19)26-14-8-12(2-3-13(10)14)24-5-4-11(17)9-25-27(20,21)22/h2-3,7-8,11H,4-6,9,17H2,1H3,(H2,20,21,22)