(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate hydrate

Systemtic Name: (11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate hydrate Openeye Name: (11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate hydrate CAS Name: (11E)-11-[2-(5,6-dimethyl-1-benzimidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate hydrate IUPAC Name: (11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate hydrate Traditional Name: (11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate hydrate Formula: C26H23N2O4- MolecularWeight: 427.47182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC=C3C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)[O-].O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)[O-].O

InChI

InChI=1S/C26H22N2O3.H2O/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25;/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30);1H2/p-1/b21-9+;