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

Systemtic Name: methyl 4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-30-22(29)18-3-2-16(20(23)24)14-19(18)31-13-10-26-21(28)15-6-11-27(12-7-15)17-4-8-25-9-5-17/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H3,23,24)(H,26,28)