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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(pyridin-3-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(3-pyridylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(pyridin-3-ylmethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(3-pyridylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C31H29N5O4 MolecularWeight: 535.59306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C31H29N5O4/c1-40-24-7-8-25(27(15-24)31(38)39)26-14-22(30(37)35-17-19-3-2-11-34-16-19)4-5-23(26)18-36-12-10-20-13-21(29(32)33)6-9-28(20)36/h2-9,11,13-16H,10,12,17-18H2,1H3,(H3,32,33)(H,35,37)(H,38,39)