pyridin-3-yl 2-[[(4-carbamimidoylphenyl)amino]methyl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: pyridin-3-yl 2-[[(4-carbamimidoylphenyl)amino]methyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: 3-pyridyl 2-[(4-carbamimidoylanilino)methyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[(4-carbamimidoylanilino)methyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2-[(4-carbamimidoylanilino)methyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[(4-amidinoanilino)methyl]-5-(isobutylcarbamoyl)benzoic acid 3-pyridyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)CNC2=CC=C(C=C2)C(=N)N)C(=O)OC3=CN=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)CNC2=CC=C(C=C2)C(=N)N)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C25H27N5O3/c1-16(2)13-30-24(31)18-5-6-19(14-29-20-9-7-17(8-10-20)23(26)27)22(12-18)25(32)33-21-4-3-11-28-15-21/h3-12,15-16,29H,13-14H2,1-2H3,(H3,26,27)(H,30,31)