2-[5-acetamido-2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[5-acetamido-2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[5-acetamido-2-[(5-carbamimidoylindolin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[5-acetamido-2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[5-acetamido-2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[5-acetamido-2-[(5-amidinoindolin-1-yl)methyl]phenyl]benzoic acid Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H24N4O3/c1-15(30)28-19-8-6-18(22(13-19)20-4-2-3-5-21(20)25(31)32)14-29-11-10-16-12-17(24(26)27)7-9-23(16)29/h2-9,12-13H,10-11,14H2,1H3,(H3,26,27)(H,28,30)(H,31,32)