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

Systemtic Name: 3-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]propanoic acid IUPAC Name: 3-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]propanoic acid Traditional Name: 3-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]propionic acid Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrN3O3/c26-20-12-15(6-9-22(30)31)11-19(24(20)32)23-18(10-14-4-2-1-3-5-14)17-13-16(25(27)28)7-8-21(17)29-23/h1-5,7-8,11-13,29,32H,6,9-10H2,(H3,27,28)(H,30,31)