ethanedioic acid; 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-oxidanyl-2,3-dihydro-1H-carbazol-4-one

Systemtic Name: ethanedioic acid; 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-oxidanyl-2,3-dihydro-1H-carbazol-4-one Openeye Name: 6-hydroxy-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; oxalic acid CAS Name: 6-hydroxy-9-methyl-3-[(2-methyl-1-imidazolyl)methyl]-2,3-dihydro-1H-carbazol-4-one; oxalic acid IUPAC Name: 6-hydroxy-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; oxalic acid Traditional Name: 6-hydroxy-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; oxalic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C=CC(=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C=CC(=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3O2.C2H2O4/c1-11-19-7-8-21(11)10-12-3-5-16-17(18(12)23)14-9-13(22)4-6-15(14)20(16)2;3-1(4)2(5)6/h4,6-9,12,22H,3,5,10H2,1-2H3;(H,3,4)(H,5,6)