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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(2-pyridylmethylcarbamoyl)phenyl]benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[oxo-(2-pyridinylmethylamino)methyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]benzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(2-pyridylmethylcarbamoyl)phenyl]benzoic acid Formula: C30H27N5O3 MolecularWeight: 505.56708

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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)NCC4=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)NCC4=CC=CC=N4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C30H27N5O3/c31-28(32)20-10-11-27-19(15-20)12-14-35(27)18-22-9-8-21(29(36)34-17-23-5-3-4-13-33-23)16-26(22)24-6-1-2-7-25(24)30(37)38/h1-11,13,15-16H,12,14,17-18H2,(H3,31,32)(H,34,36)(H,37,38)