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

Systemtic Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-oxidanyl-5-(3-phosphonooxyphenyl)phenyl]ethanoic acid Openeye Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-phosphonooxyphenyl)phenyl]acetic acid CAS Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-phosphonooxyphenyl)phenyl]acetic acid IUPAC Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-phosphonooxyphenyl)phenyl]acetic acid Traditional Name: 2-[3-(5-amidino-1H-indol-2-yl)-4-hydroxy-5-(3-phosphonooxyphenyl)phenyl]acetic acid Formula: C23H20N3O7P MolecularWeight: 481.394561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N3O7P/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(27)28)6-17(22(18)29)13-2-1-3-16(10-13)33-34(30,31)32/h1-7,9-11,26,29H,8H2,(H3,24,25)(H,27,28)(H2,30,31,32)