2-[3-(3-aminophenyl)-5-(5-carbamimidoyl-1H-indol-2-yl)-4-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-(3-aminophenyl)-5-(5-carbamimidoyl-1H-indol-2-yl)-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-[3-(3-aminophenyl)-5-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-phenyl]acetic acid CAS Name: 2-[3-(3-aminophenyl)-5-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxyphenyl]acetic acid IUPAC Name: 2-[3-(3-aminophenyl)-5-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxyphenyl]acetic acid Traditional Name: 2-[3-(5-amidino-1H-indol-2-yl)-5-(3-aminophenyl)-4-hydroxy-phenyl]acetic acid Formula: C23H20N4O3 MolecularWeight: 400.4299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)CC(=O)O

InChI

InChI=1S/C23H20N4O3/c24-16-3-1-2-13(10-16)17-6-12(8-21(28)29)7-18(22(17)30)20-11-15-9-14(23(25)26)4-5-19(15)27-20/h1-7,9-11,27,30H,8,24H2,(H3,25,26)(H,28,29)