ethyl 4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]benzoate

Systemtic Name: ethyl 4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]benzoate Openeye Name: ethyl 4-carbamimidoyl-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]benzoate CAS Name: 4-carbamimidoyl-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]benzoate Traditional Name: 4-amidino-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]benzoic acid ethyl ester Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C23H29N5O4/c1-2-31-23(30)19-4-3-17(21(24)25)15-20(19)32-14-11-27-22(29)16-7-12-28(13-8-16)18-5-9-26-10-6-18/h3-6,9-10,15-16H,2,7-8,11-14H2,1H3,(H3,24,25)(H,27,29)