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

Systemtic Name: ethyl 3-carbamimidoyl-4-[3-[1-(3-ethoxy-3-oxidanylidene-propyl)piperidin-4-yl]-2-oxidanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 3-carbamimidoyl-4-[3-[1-(3-ethoxy-3-oxo-propyl)-4-piperidyl]-2-oxo-imidazolidin-1-yl]benzoate CAS Name: 3-carbamimidoyl-4-[3-[1-(3-ethoxy-3-oxopropyl)-4-piperidinyl]-2-oxo-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-carbamimidoyl-4-[3-[1-(3-ethoxy-3-oxopropyl)piperidin-4-yl]-2-oxoimidazolidin-1-yl]benzoate Traditional Name: 3-amidino-4-[3-[1-(3-ethoxy-3-keto-propyl)-4-piperidyl]-2-keto-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C23H33N5O5 MolecularWeight: 459.53862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCC(CC1)N2CCN(C2=O)C3=C(C=C(C=C3)C(=O)OCC)C(=N)N

Isomeric SMILES

CCOC(=O)CCN1CCC(CC1)N2CCN(C2=O)C3=C(C=C(C=C3)C(=O)OCC)C(=N)N

InChI

InChI=1S/C23H33N5O5/c1-3-32-20(29)9-12-26-10-7-17(8-11-26)27-13-14-28(23(27)31)19-6-5-16(22(30)33-4-2)15-18(19)21(24)25/h5-6,15,17H,3-4,7-14H2,1-2H3,(H3,24,25)