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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-5-ethoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]phenyl]-5-ethoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-5-ethoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-5-ethoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]phenyl]-5-ethoxy-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=C2CN3CCC4=C3C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=CC=CC=C2CN3CCC4=C3C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H25N3O3/c1-2-31-19-8-9-21(22(14-19)25(29)30)20-6-4-3-5-18(20)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)