3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-ethenyl-5-methoxy-phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-ethenyl-5-methoxy-phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylanilino)methyl]-5-methoxy-4-vinyl-phenyl]-6-(isobutylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)methyl]-4-ethenyl-5-methoxyphenyl]-6-[(2-methylpropylamino)-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylanilino)methyl]-4-ethenyl-5-methoxyphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinoanilino)methyl]-5-methoxy-4-vinyl-phenyl]-6-(isobutylcarbamoyl)picolinic acid Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=CC(=C(C=C2CNC3=CC=C(C=C3)C(=N)N)C=C)OC)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=CC(=C(C=C2CNC3=CC=C(C=C3)C(=N)N)C=C)OC)C(=O)O

InChI

InChI=1S/C28H31N5O4/c1-5-17-12-19(15-31-20-8-6-18(7-9-20)26(29)30)22(13-24(17)37-4)21-10-11-23(33-25(21)28(35)36)27(34)32-14-16(2)3/h5-13,16,31H,1,14-15H2,2-4H3,(H3,29,30)(H,32,34)(H,35,36)