2-[(3-ethoxycarbonyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(3-ethoxycarbonyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3-ethoxycarbonyl-6-oxo-1-phenyl-pyridazin-4-yl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(3-ethoxycarbonyl-6-oxo-1-phenyl-4-pyridazinyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3-ethoxycarbonyl-6-oxo-1-phenylpyridazin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(3-carbethoxy-6-keto-1-phenyl-pyridazin-4-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2CCCCC2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2CCCCC2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O6/c1-2-30-21(29)18-16(12-17(25)24(23-18)13-8-4-3-5-9-13)22-19(26)14-10-6-7-11-15(14)20(27)28/h3-5,8-9,12,14-15H,2,6-7,10-11H2,1H3,(H,22,26)(H,27,28)