4-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]butanoic acid

Systemtic Name: 4-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]butanoic acid Openeye Name: 4-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]butanoic acid CAS Name: 4-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]butanoic acid IUPAC Name: 4-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]butanoic acid Traditional Name: 4-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]butyric acid Formula: C26H24BrN3O3 MolecularWeight: 506.39106

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrN3O3/c27-21-13-16(7-4-8-23(31)32)12-20(25(21)33)24-19(11-15-5-2-1-3-6-15)18-14-17(26(28)29)9-10-22(18)30-24/h1-3,5-6,9-10,12-14,30,33H,4,7-8,11H2,(H3,28,29)(H,31,32)