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

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-methyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methylphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinoanilino)methyl]-4-methyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)CNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)CNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H30N4O3/c1-16(2)14-31-26(32)19-7-11-23(24(13-19)27(33)34)22-10-4-17(3)12-20(22)15-30-21-8-5-18(6-9-21)25(28)29/h4-13,16,30H,14-15H2,1-3H3,(H3,28,29)(H,31,32)(H,33,34)