6-[[3-cyclopentyl-2-[4-(2-cyclopentylphenoxy)-6-oxidanylidene-pyridazin-1-yl]propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[3-cyclopentyl-2-[4-(2-cyclopentylphenoxy)-6-oxidanylidene-pyridazin-1-yl]propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[3-cyclopentyl-2-[4-(2-cyclopentylphenoxy)-6-oxo-pyridazin-1-yl]propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[3-cyclopentyl-2-[4-(2-cyclopentylphenoxy)-6-oxo-1-pyridazinyl]-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[3-cyclopentyl-2-[4-(2-cyclopentylphenoxy)-6-oxopyridazin-1-yl]propanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[3-cyclopentyl-2-[4-(2-cyclopentylphenoxy)-6-keto-pyridazin-1-yl]propanoyl]amino]nicotinic acid Formula: C29H32N4O5 MolecularWeight: 516.58818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(C(=O)NC2=NC=C(C=C2)C(=O)O)N3C(=O)C=C(C=N3)OC4=CC=CC=C4C5CCCC5

Isomeric SMILES

C1CCC(C1)CC(C(=O)NC2=NC=C(C=C2)C(=O)O)N3C(=O)C=C(C=N3)OC4=CC=CC=C4C5CCCC5

InChI

InChI=1S/C29H32N4O5/c34-27-16-22(38-25-12-6-5-11-23(25)20-9-3-4-10-20)18-31-33(27)24(15-19-7-1-2-8-19)28(35)32-26-14-13-21(17-30-26)29(36)37/h5-6,11-14,16-20,24H,1-4,7-10,15H2,(H,36,37)(H,30,32,35)