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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-chloranyl-phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-chloro-phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-5-chlorophenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-chlorophenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-5-chloro-phenyl]-5-methyl-benzoic acid Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O3/c1-12-2-8-16(19(10-12)22(28)29)18-11-14(23)5-9-17(18)21(27)26-15-6-3-13(4-7-15)20(24)25/h2-11H,1H3,(H3,24,25)(H,26,27)(H,28,29)