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3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phthalic acid

3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phthalic acid

Systemtic Name:3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phthalic acid
Openeye Name:3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phthalic acid
CAS Name:3-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]phthalic acid
IUPAC Name:3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phthalic acid
Traditional Name:3-[2-[(4-amidinophenyl)carbamoyl]phenyl]phthalic acid
Formula: C22H17N3O5
MolecularWeight: 403.38748
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H17N3O5/c23-19(24)12-8-10-13(11-9-12)25-20(26)16-5-2-1-4-14(16)15-6-3-7-17(21(27)28)18(15)22(29)30/h1-11H,(H3,23,24)(H,25,26)(H,27,28)(H,29,30)


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