5-[(E)-(1-cyclohexyl-2-imidazol-1-yl-3-pyrazin-2-yl-propylidene)amino]oxypentanoic acid

Systemtic Name: 5-[(E)-(1-cyclohexyl-2-imidazol-1-yl-3-pyrazin-2-yl-propylidene)amino]oxypentanoic acid Openeye Name: 5-[(E)-(1-cyclohexyl-2-imidazol-1-yl-3-pyrazin-2-yl-propylidene)amino]oxypentanoic acid CAS Name: 5-[(E)-[1-cyclohexyl-2-(1-imidazolyl)-3-(2-pyrazinyl)propylidene]amino]oxypentanoic acid IUPAC Name: 5-[(E)-(1-cyclohexyl-2-imidazol-1-yl-3-pyrazin-2-ylpropylidene)amino]oxypentanoic acid Traditional Name: 5-[(E)-(1-cyclohexyl-2-imidazol-1-yl-3-pyrazin-2-yl-propylidene)amino]oxyvaleric acid Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=NOCCCCC(=O)O)C(CC2=NC=CN=C2)N3C=CN=C3

Isomeric SMILES

C1CCC(CC1)/C(=N\OCCCCC(=O)O)/C(CC2=NC=CN=C2)N3C=CN=C3

InChI

InChI=1S/C21H29N5O3/c27-20(28)8-4-5-13-29-25-21(17-6-2-1-3-7-17)19(26-12-11-23-16-26)14-18-15-22-9-10-24-18/h9-12,15-17,19H,1-8,13-14H2,(H,27,28)/b25-21+