2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]ethyl dihydrogen phosphate

Systemtic Name: 2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]ethyl dihydrogen phosphate Openeye Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]ethyl dihydrogen phosphate CAS Name: 2-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]ethyl dihydrogen phosphate IUPAC Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]ethyl dihydrogen phosphate Traditional Name: 2-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]ethyl dihydrogen phosphate Formula: C24H23BrN3O5P MolecularWeight: 544.334281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=N)N)C4=CC(=CC(=C4O)Br)CCOP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=N)N)C4=CC(=CC(=C4O)Br)CCOP(=O)(O)O

InChI

InChI=1S/C24H23BrN3O5P/c25-20-12-15(8-9-33-34(30,31)32)11-19(23(20)29)22-18(10-14-4-2-1-3-5-14)17-13-16(24(26)27)6-7-21(17)28-22/h1-7,11-13,28-29H,8-10H2,(H3,26,27)(H2,30,31,32)