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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-methyl-benzoic acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

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