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1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylic acid

1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylic acid

Systemtic Name:1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylic acid
Openeye Name:1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylic acid
CAS Name:1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylic acid
IUPAC Name:1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylic acid
Traditional Name:1-(3-amidinobenzyl)indole-2,3-dicarboxylic acid
Formula: C18H15N3O4
MolecularWeight: 337.3294
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)O)C(=O)O


InChI

InChI=1S/C18H15N3O4/c19-16(20)11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(17(22)23)15(21)18(24)25/h1-8H,9H2,(H3,19,20)(H,22,23)(H,24,25)


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