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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-[2-(2-pyridyl)ethylcarbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[oxo-[2-(2-pyridinyl)ethylamino]methyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-[2-(2-pyridyl)ethylcarbamoyl]phenyl]benzoic acid Formula: C31H29N5O3 MolecularWeight: 519.59366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=N4)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=N4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C31H29N5O3/c32-29(33)21-10-11-28-20(17-21)13-16-36(28)19-23-9-8-22(30(37)35-15-12-24-5-3-4-14-34-24)18-27(23)25-6-1-2-7-26(25)31(38)39/h1-11,14,17-18H,12-13,15-16,19H2,(H3,32,33)(H,35,37)(H,38,39)