methyl 3-(3-carbamimidoylphenyl)-5-[(2-pyridin-3-ylethanoylamino)methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(2-pyridin-3-ylethanoylamino)methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[[2-(3-pyridyl)acetyl]amino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[1-oxo-2-(3-pyridinyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(2-pyridin-3-ylacetyl)amino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[[2-(3-pyridyl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)CC3=CN=CC=C3

InChI

InChI=1S/C23H22N4O3/c1-30-23(29)20-9-16(14-27-21(28)10-15-4-3-7-26-13-15)8-19(12-20)17-5-2-6-18(11-17)22(24)25/h2-9,11-13H,10,14H2,1H3,(H3,24,25)(H,27,28)