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

Systemtic Name: octyl 3-carbamimidoyl-4-[3-[1-(2-ethoxy-2-oxidanylidene-ethyl)piperidin-4-yl]propanoylamino]benzoate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C28H44N4O5 MolecularWeight: 516.67276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N4O5/c1-3-5-6-7-8-9-18-37-28(35)22-11-12-24(23(19-22)27(29)30)31-25(33)13-10-21-14-16-32(17-15-21)20-26(34)36-4-2/h11-12,19,21H,3-10,13-18,20H2,1-2H3,(H3,29,30)(H,31,33)