2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]phenyl]-4,5-dimethoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-4,5-dimethoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]phenyl]-4,5-dimethoxy-benzoic acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=CC=CC=C2CN3CCC4=C3C=CC(=C4)C(=N)N)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=CC=CC=C2CN3CCC4=C3C=CC(=C4)C(=N)N)C(=O)O)OC

InChI

InChI=1S/C25H25N3O4/c1-31-22-12-19(20(25(29)30)13-23(22)32-2)18-6-4-3-5-17(18)14-28-10-9-15-11-16(24(26)27)7-8-21(15)28/h3-8,11-13H,9-10,14H2,1-2H3,(H3,26,27)(H,29,30)