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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-ethoxy-phenyl]benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-4-ethoxy-phenyl]benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-ethoxyphenyl]benzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-ethoxyphenyl]benzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-4-ethoxy-phenyl]benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)CN3CCC4=C3C=CC(=C4)C(=N)N

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)CN3CCC4=C3C=CC(=C4)C(=N)N

InChI

InChI=1S/C25H25N3O3/c1-2-31-19-8-9-20(21-5-3-4-6-22(21)25(29)30)18(14-19)15-28-12-11-16-13-17(24(26)27)7-10-23(16)28/h3-10,13-14H,2,11-12,15H2,1H3,(H3,26,27)(H,29,30)