ethyl 4-[4-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylamino]phenyl]benzenecarboximidate

Systemtic Name: ethyl 4-[4-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylamino]phenyl]benzenecarboximidate Openeye Name: ethyl 4-[4-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylamino]phenyl]benzenecarboximidate CAS Name: 4-[4-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylamino]phenyl]benzenecarboximidic acid ethyl ester IUPAC Name: ethyl 4-[4-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylamino]phenyl]benzenecarboximidate Traditional Name: 4-[4-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylamino]phenyl]benzenecarboximidic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC=C(C=C1)C2=CC=C(C=C2)NCC3=CN=C(C(=C3CO)O)C

Isomeric SMILES

CCOC(=N)C1=CC=C(C=C1)C2=CC=C(C=C2)NCC3=CN=C(C(=C3CO)O)C

InChI

InChI=1S/C23H25N3O3/c1-3-29-23(24)18-6-4-16(5-7-18)17-8-10-20(11-9-17)26-13-19-12-25-15(2)22(28)21(19)14-27/h4-12,24,26-28H,3,13-14H2,1-2H3