ethanedioic acid; 3-[(2-methylimidazol-1-yl)methyl]-6-phenylmethoxy-1,2,3,9-tetrahydrocarbazol-4-one

Systemtic Name: ethanedioic acid; 3-[(2-methylimidazol-1-yl)methyl]-6-phenylmethoxy-1,2,3,9-tetrahydrocarbazol-4-one Openeye Name: 6-benzyloxy-3-[(2-methylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one; oxalic acid CAS Name: 3-[(2-methyl-1-imidazolyl)methyl]-6-phenylmethoxy-1,2,3,9-tetrahydrocarbazol-4-one; oxalic acid IUPAC Name: 3-[(2-methylimidazol-1-yl)methyl]-6-phenylmethoxy-1,2,3,9-tetrahydrocarbazol-4-one; oxalic acid Traditional Name: 6-benzoxy-3-[(2-methylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one; oxalic acid Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H23N3O2.C2H2O4/c1-16-25-11-12-27(16)14-18-7-9-22-23(24(18)28)20-13-19(8-10-21(20)26-22)29-15-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-6,8,10-13,18,26H,7,9,14-15H2,1H3;(H,3,4)(H,5,6)