methyl 3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-ethenyl-phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate

Systemtic Name: methyl 3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-ethenyl-phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate Openeye Name: methyl 3-[2-[(4-carbamimidoylanilino)methyl]-4-vinyl-phenyl]-6-(isobutylcarbamoyl)pyridine-2-carboxylate CAS Name: 3-[2-[(4-carbamimidoylanilino)methyl]-4-ethenylphenyl]-6-[(2-methylpropylamino)-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(4-carbamimidoylanilino)methyl]-4-ethenylphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate Traditional Name: 3-[2-[(4-amidinoanilino)methyl]-4-vinyl-phenyl]-6-(isobutylcarbamoyl)picolinic acid methyl ester Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)C=C)CNC3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)C=C)CNC3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C28H31N5O3/c1-5-18-6-11-22(20(14-18)16-31-21-9-7-19(8-10-21)26(29)30)23-12-13-24(27(34)32-15-17(2)3)33-25(23)28(35)36-4/h5-14,17,31H,1,15-16H2,2-4H3,(H3,29,30)(H,32,34)