methyl 3-[[[1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indol-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-[[[1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indol-2-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 3-[[[1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-indole-2-carbonyl]amino]methyl]benzoate CAS Name: 3-[[[[1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-2-indolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[1-[(3-carbamimidoylphenyl)methyl]-4-hydroxyindole-2-carbonyl]amino]methyl]benzoate Traditional Name: 3-[[[1-(3-amidinobenzyl)-4-hydroxy-indole-2-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC=C3O

InChI

InChI=1S/C26H24N4O4/c1-34-26(33)19-8-2-5-16(11-19)14-29-25(32)22-13-20-21(9-4-10-23(20)31)30(22)15-17-6-3-7-18(12-17)24(27)28/h2-13,31H,14-15H2,1H3,(H3,27,28)(H,29,32)