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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(naphthalen-1-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(1-naphthylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(1-naphthalenylmethylamino)-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(naphthalen-1-ylmethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(1-naphthylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C36H32N4O4 MolecularWeight: 584.66368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC4=CC=CC=C43)CN5CCC6=C5C=CC(=C6)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC4=CC=CC=C43)CN5CCC6=C5C=CC(=C6)C(=N)N)C(=O)O

InChI

InChI=1S/C36H32N4O4/c1-44-28-12-13-30(32(19-28)36(42)43)31-18-25(35(41)39-20-26-7-4-6-22-5-2-3-8-29(22)26)9-10-27(31)21-40-16-15-23-17-24(34(37)38)11-14-33(23)40/h2-14,17-19H,15-16,20-21H2,1H3,(H3,37,38)(H,39,41)(H,42,43)