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

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-ethenyl-5-methoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)methyl]-5-methoxy-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-ethenyl-5-methoxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-ethenyl-5-methoxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinoanilino)methyl]-5-methoxy-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32N4O4/c1-5-18-12-21(16-32-22-9-6-19(7-10-22)27(30)31)24(14-26(18)37-4)23-11-8-20(13-25(23)29(35)36)28(34)33-15-17(2)3/h5-14,17,32H,1,15-16H2,2-4H3,(H3,30,31)(H,33,34)(H,35,36)