2-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-5-chloranyl-benzoic acid

Systemtic Name: 2-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-5-chloranyl-benzoic acid Openeye Name: 2-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-5-chloro-benzoic acid CAS Name: 2-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-5-chlorobenzoic acid IUPAC Name: 2-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-5-chlorobenzoic acid Traditional Name: 2-[[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]methyl]-5-chloro-benzoic acid Formula: C24H20ClN5O2 MolecularWeight: 445.9009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC4=C(C=C(C=C4)Cl)C(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC4=C(C=C(C=C4)Cl)C(=O)O)C(=N)N

InChI

InChI=1S/C24H20ClN5O2/c25-16-7-5-14(18(11-16)24(31)32)9-19-17-8-6-15(23(28)29)10-20(17)30-21(19)12-1-3-13(4-2-12)22(26)27/h1-8,10-11,30H,9H2,(H3,26,27)(H3,28,29)(H,31,32)