2-[(Z)-N'-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoyloxy]carbamimidoyl]piperidine-1-carboxylic acid

Systemtic Name: 2-[(Z)-N'-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoyloxy]carbamimidoyl]piperidine-1-carboxylic acid Openeye Name: 2-[(Z)-N'-[2-[(1-benzyloxycarbonyl-4-piperidyl)oxy]acetyl]oxycarbamimidoyl]piperidine-1-carboxylic acid CAS Name: 2-[(Z)-amino-[1-oxo-2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]ethoxy]iminomethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[(Z)-N'-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetyl]oxycarbamimidoyl]piperidine-1-carboxylic acid Traditional Name: 2-[(Z)-N'-[2-[(1-carbobenzoxy-4-piperidyl)oxy]acetyl]oxyamidino]piperidine-1-carboxylic acid Formula: C22H30N4O7 MolecularWeight: 462.4962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=NOC(=O)COC2CCN(CC2)C(=O)OCC3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

C1CCN(C(C1)/C(=N/OC(=O)COC2CCN(CC2)C(=O)OCC3=CC=CC=C3)/N)C(=O)O

InChI

InChI=1S/C22H30N4O7/c23-20(18-8-4-5-11-26(18)21(28)29)24-33-19(27)15-31-17-9-12-25(13-10-17)22(30)32-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H2,23,24)(H,28,29)