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

Systemtic Name: 2-[3-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[3-[(5-carbamimidoylindolin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[3-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[3-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[3-[(5-amidinoindolin-1-yl)methyl]phenyl]benzoic acid Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC(=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC(=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H21N3O2/c24-22(25)18-8-9-21-17(13-18)10-11-26(21)14-15-4-3-5-16(12-15)19-6-1-2-7-20(19)23(27)28/h1-9,12-13H,10-11,14H2,(H3,24,25)(H,27,28)