4-(aminocarbonylamino)-3-phenyl-5-propyl-pyridine-2,6-dicarboxylic acid

Systemtic Name: 4-(aminocarbonylamino)-3-phenyl-5-propyl-pyridine-2,6-dicarboxylic acid Openeye Name: 3-phenyl-5-propyl-4-ureido-pyridine-2,6-dicarboxylic acid CAS Name: 4-(carbamoylamino)-3-phenyl-5-propylpyridine-2,6-dicarboxylic acid IUPAC Name: 4-(carbamoylamino)-3-phenyl-5-propylpyridine-2,6-dicarboxylic acid Traditional Name: 3-phenyl-5-propyl-4-ureido-dipicolinic acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(C(=C1NC(=O)N)C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(N=C(C(=C1NC(=O)N)C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H17N3O5/c1-2-6-10-12(20-17(18)25)11(9-7-4-3-5-8-9)14(16(23)24)19-13(10)15(21)22/h3-5,7-8H,2,6H2,1H3,(H,21,22)(H,23,24)(H3,18,19,20,25)