2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethenyl-5-methoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethenyl-5-methoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[[(5-carbamimidoyl-2-pyridyl)amino]methyl]-5-methoxy-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[[(5-carbamimidoyl-2-pyridinyl)amino]methyl]-4-ethenyl-5-methoxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-4-ethenyl-5-methoxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[[(5-amidino-2-pyridyl)amino]methyl]-5-methoxy-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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