1-(1-cyclopentylbenzotriazol-5-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(1-cyclopentylbenzotriazol-5-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(1-cyclopentyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1-cyclopentylbenzotriazole-5-carbonyl)isonipecotic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)O)N=N2

Isomeric SMILES

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)O)N=N2

InChI

InChI=1S/C18H22N4O3/c23-17(21-9-7-12(8-10-21)18(24)25)13-5-6-16-15(11-13)19-20-22(16)14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H,24,25)