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

Systemtic Name: methyl 3-carbamimidoyl-4-[3-[1-(3-ethoxy-3-oxidanylidene-propyl)piperidin-4-yl]-2-oxidanylidene-imidazolidin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H31N5O5 MolecularWeight: 445.51204

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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)OC)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O5/c1-3-32-19(28)8-11-25-9-6-16(7-10-25)26-12-13-27(22(26)30)18-5-4-15(21(29)31-2)14-17(18)20(23)24/h4-5,14,16H,3,6-13H2,1-2H3,(H3,23,24)