disodium 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2,3-dicarboxylate

Systemtic Name: disodium 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2,3-dicarboxylate Openeye Name: disodium 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2,3-dicarboxylate CAS Name: disodium 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2,3-dicarboxylate IUPAC Name: disodium 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2,3-dicarboxylate Traditional Name: disodium 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]quinolinate Formula: C21H20N2Na2O5 MolecularWeight: 426.37344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC(=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC(=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H22N2O5.2Na/c24-20(25)17-6-7-18(22-19(17)21(26)27)28-16-5-4-13-8-10-23(15-2-1-3-15)11-9-14(13)12-16;;/h4-7,12,15H,1-3,8-11H2,(H,24,25)(H,26,27);;/q;2*+1/p-2