3-(hydroxymethyl)-2,5-bis[[(4-methylphenyl)amino]methyl]-6-oxidanyl-pyran-4-one

Systemtic Name: 3-(hydroxymethyl)-2,5-bis[[(4-methylphenyl)amino]methyl]-6-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-5-(hydroxymethyl)-3,6-bis[(4-methylanilino)methyl]pyran-4-one CAS Name: 2-hydroxy-5-(hydroxymethyl)-3,6-bis[(4-methylanilino)methyl]-4-pyranone IUPAC Name: 2-hydroxy-5-(hydroxymethyl)-3,6-bis[(4-methylanilino)methyl]pyran-4-one Traditional Name: 2-hydroxy-5-methylol-3,6-bis(p-toluidinomethyl)pyran-4-one Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=C(OC(=C(C2=O)CO)CNC3=CC=C(C=C3)C)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=C(OC(=C(C2=O)CO)CNC3=CC=C(C=C3)C)O

InChI

InChI=1S/C22H24N2O4/c1-14-3-7-16(8-4-14)23-11-18-21(26)19(13-25)20(28-22(18)27)12-24-17-9-5-15(2)6-10-17/h3-10,23-25,27H,11-13H2,1-2H3