hexyl 3-carbamimidoyl-4-[3-[1-(2-ethoxy-2-oxidanylidene-ethyl)piperidin-4-yl]propanoylamino]benzoate

Systemtic Name: hexyl 3-carbamimidoyl-4-[3-[1-(2-ethoxy-2-oxidanylidene-ethyl)piperidin-4-yl]propanoylamino]benzoate Openeye Name: hexyl 3-carbamimidoyl-4-[3-[1-(2-ethoxy-2-oxo-ethyl)-4-piperidyl]propanoylamino]benzoate CAS Name: 3-carbamimidoyl-4-[[3-[1-(2-ethoxy-2-oxoethyl)-4-piperidinyl]-1-oxopropyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 3-carbamimidoyl-4-[3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoylamino]benzoate Traditional Name: 3-amidino-4-[3-[1-(2-ethoxy-2-keto-ethyl)-4-piperidyl]propanoylamino]benzoic acid hexyl ester Formula: C26H40N4O5 MolecularWeight: 488.6196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=C(C=C1)NC(=O)CCC2CCN(CC2)CC(=O)OCC)C(=N)N

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=C(C=C1)NC(=O)CCC2CCN(CC2)CC(=O)OCC)C(=N)N

InChI

InChI=1S/C26H40N4O5/c1-3-5-6-7-16-35-26(33)20-9-10-22(21(17-20)25(27)28)29-23(31)11-8-19-12-14-30(15-13-19)18-24(32)34-4-2/h9-10,17,19H,3-8,11-16,18H2,1-2H3,(H3,27,28)(H,29,31)