4-carbamimidoyl-N-[1-(3-carbamimidoylphenoxy)-3-(1H-indol-3-yl)propan-2-yl]benzamide

Systemtic Name: 4-carbamimidoyl-N-[1-(3-carbamimidoylphenoxy)-3-(1H-indol-3-yl)propan-2-yl]benzamide Openeye Name: 4-carbamimidoyl-N-[1-[(3-carbamimidoylphenoxy)methyl]-2-(1H-indol-3-yl)ethyl]benzamide CAS Name: 4-carbamimidoyl-N-[1-(3-carbamimidoylphenoxy)-3-(1H-indol-3-yl)propan-2-yl]benzamide IUPAC Name: 4-carbamimidoyl-N-[1-(3-carbamimidoylphenoxy)-3-(1H-indol-3-yl)propan-2-yl]benzamide Traditional Name: 4-amidino-N-[1-[(3-amidinophenoxy)methyl]-2-(1H-indol-3-yl)ethyl]benzamide Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC=CC(=C3)C(=N)N)NC(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC=CC(=C3)C(=N)N)NC(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H26N6O2/c27-24(28)16-8-10-17(11-9-16)26(33)32-20(12-19-14-31-23-7-2-1-6-22(19)23)15-34-21-5-3-4-18(13-21)25(29)30/h1-11,13-14,20,31H,12,15H2,(H3,27,28)(H3,29,30)(H,32,33)