4-[3-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[3-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[3-[(5-carbamimidoylindolin-1-yl)methyl]phenyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[3-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[3-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[3-[(5-amidinoindolin-1-yl)methyl]phenyl]isophthalic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C24H21N3O4/c25-22(26)17-5-7-21-16(11-17)8-9-27(21)13-14-2-1-3-15(10-14)19-6-4-18(23(28)29)12-20(19)24(30)31/h1-7,10-12H,8-9,13H2,(H3,25,26)(H,28,29)(H,30,31)