2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-phenyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methylphenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylphenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-phenyl]benzoic acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC=CC(=C1C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H19N3O3/c1-13-5-4-8-18(19(13)16-6-2-3-7-17(16)22(27)28)21(26)25-15-11-9-14(10-12-15)20(23)24/h2-12H,1H3,(H3,23,24)(H,25,26)(H,27,28)