methyl 3-(3-carbamimidoylphenyl)-5-[(1H-indol-4-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1H-indol-4-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1H-indole-4-carbonylamino)methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[1H-indol-4-yl(oxo)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1H-indole-4-carbonylamino)methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(1H-indole-4-carbonylamino)methyl]benzoic acid methyl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3=C4C=CNC4=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3=C4C=CNC4=CC=C3

InChI

InChI=1S/C25H22N4O3/c1-32-25(31)19-11-15(10-18(13-19)16-4-2-5-17(12-16)23(26)27)14-29-24(30)21-6-3-7-22-20(21)8-9-28-22/h2-13,28H,14H2,1H3,(H3,26,27)(H,29,30)