6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-[4-(2-phenylazanylpropanoylamino)phenoxy]oxan-2-olate

Systemtic Name: 6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-[4-(2-phenylazanylpropanoylamino)phenoxy]oxan-2-olate Openeye Name: 3-[4-(2-anilinopropanoylamino)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: 3-[4-[(2-anilino-1-oxopropyl)amino]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanolate IUPAC Name: 3-[4-(2-anilinopropanoylamino)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate Traditional Name: 3-[4-(2-anilinopropanoylamino)phenoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-2-olate Formula: C21H25N2O7- MolecularWeight: 417.4324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2C(C(C(OC2[O-])CO)O)O)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2C(C(C(OC2[O-])CO)O)O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N2O7/c1-12(22-13-5-3-2-4-6-13)20(27)23-14-7-9-15(10-8-14)29-19-18(26)17(25)16(11-24)30-21(19)28/h2-10,12,16-19,21-22,24-26H,11H2,1H3,(H,23,27)/q-1