(3,3-dimethyl-1-oxidanyl-2,4-dihydro-1H-acridin-9-yl)-(phenylmethyl)azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (3,3-dimethyl-1-oxidanyl-2,4-dihydro-1H-acridin-9-yl)-(phenylmethyl)azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: benzyl-(1-hydroxy-3,3-dimethyl-2,4-dihydro-1H-acridin-9-yl)ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (1-hydroxy-3,3-dimethyl-2,4-dihydro-1H-acridin-9-yl)-(phenylmethyl)ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: benzyl-(1-hydroxy-3,3-dimethyl-2,4-dihydro-1H-acridin-9-yl)azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: benzyl-(1-hydroxy-3,3-dimethyl-2,4-dihydro-1H-acridin-9-yl)ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C3=CC=CC=C3N=C2C1)[NH2+]CC4=CC=CC=C4)O)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1(CC(C2=C(C3=CC=CC=C3N=C2C1)[NH2+]CC4=CC=CC=C4)O)C.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C22H24N2O.C4H4O4/c1-22(2)12-18-20(19(25)13-22)21(16-10-6-7-11-17(16)24-18)23-14-15-8-4-3-5-9-15;5-3(6)1-2-4(7)8/h3-11,19,25H,12-14H2,1-2H3,(H,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+