2-[3-(5-carbamimidoyl-6-chloranyl-1H-indol-2-yl)-4-oxidanyl-5-phenyl-phenyl]-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: 2-[3-(5-carbamimidoyl-6-chloranyl-1H-indol-2-yl)-4-oxidanyl-5-phenyl-phenyl]-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[3-(5-carbamimidoyl-6-chloro-1H-indol-2-yl)-4-hydroxy-5-phenyl-phenyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[3-(5-carbamimidoyl-6-chloro-1H-indol-2-yl)-4-hydroxy-5-phenylphenyl]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-[3-(5-carbamimidoyl-6-chloro-1H-indol-2-yl)-4-hydroxy-5-phenylphenyl]-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[3-(5-amidino-6-chloro-1H-indol-2-yl)-4-hydroxy-5-phenyl-phenyl]-N-(tetrahydrofurfuryl)acetamide Formula: C28H27ClN4O3 MolecularWeight: 502.99198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC5=CC(=C(C=C5N4)Cl)C(=N)N

Isomeric SMILES

C1CC(OC1)CNC(=O)CC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC5=CC(=C(C=C5N4)Cl)C(=N)N

InChI

InChI=1S/C28H27ClN4O3/c29-23-14-24-18(12-21(23)28(30)31)13-25(33-24)22-10-16(11-26(34)32-15-19-7-4-8-36-19)9-20(27(22)35)17-5-2-1-3-6-17/h1-3,5-6,9-10,12-14,19,33,35H,4,7-8,11,15H2,(H3,30,31)(H,32,34)