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

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-methoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methoxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methoxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methoxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinoanilino)methyl]-4-methoxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O4/c1-16(2)14-31-26(32)18-6-10-23(24(13-18)27(33)34)22-11-9-21(35-3)12-19(22)15-30-20-7-4-17(5-8-20)25(28)29/h4-13,16,30H,14-15H2,1-3H3,(H3,28,29)(H,31,32)(H,33,34)