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

Systemtic Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(2-hydroxyphenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-1H-indol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]succinic acid Formula: C25H21N3O6 MolecularWeight: 459.45074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O6/c26-24(27)12-5-6-19-14(7-12)10-20(28-19)18-9-13(16(25(33)34)11-22(30)31)8-17(23(18)32)15-3-1-2-4-21(15)29/h1-10,16,28-29,32H,11H2,(H3,26,27)(H,30,31)(H,33,34)