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

Systemtic Name: ethyl 3-carbamimidoyl-4-[3-[1-(3-methoxy-3-oxidanylidene-propyl)piperidin-4-yl]-2-oxidanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 3-carbamimidoyl-4-[3-[1-(3-methoxy-3-oxo-propyl)-4-piperidyl]-2-oxo-imidazolidin-1-yl]benzoate CAS Name: 3-carbamimidoyl-4-[3-[1-(3-methoxy-3-oxopropyl)-4-piperidinyl]-2-oxo-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-carbamimidoyl-4-[3-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]-2-oxoimidazolidin-1-yl]benzoate Traditional Name: 3-amidino-4-[2-keto-3-[1-(3-keto-3-methoxy-propyl)-4-piperidyl]imidazolidin-1-yl]benzoic acid ethyl ester Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(C2=O)C3CCN(CC3)CCC(=O)OC)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(C2=O)C3CCN(CC3)CCC(=O)OC)C(=N)N

InChI

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