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2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]terephthalic acid

2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]terephthalic acid

Systemtic Name:2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]terephthalic acid
Openeye Name:2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]terephthalic acid
CAS Name:2-[2-[(5-carbamimidoyl-1-indolyl)methyl]phenyl]terephthalic acid
IUPAC Name:2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]terephthalic acid
Traditional Name:2-[2-[(5-amidinoindol-1-yl)methyl]phenyl]terephthalic acid
Formula: C24H19N3O4
MolecularWeight: 413.42536
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CC3=C2C=CC(=C3)C(=N)N)C4=C(C=CC(=C4)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CC3=C2C=CC(=C3)C(=N)N)C4=C(C=CC(=C4)C(=O)O)C(=O)O


InChI

InChI=1S/C24H19N3O4/c25-22(26)15-6-8-21-14(11-15)9-10-27(21)13-17-3-1-2-4-18(17)20-12-16(23(28)29)5-7-19(20)24(30)31/h1-12H,13H2,(H3,25,26)(H,28,29)(H,30,31)


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