2-[2-[[5-carbamimidoyl-3-(methylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[[5-carbamimidoyl-3-(methylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[[5-carbamimidoyl-3-(methylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[[5-carbamimidoyl-3-(methylcarbamoyl)-1-indolyl]methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[[5-carbamimidoyl-3-(methylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[[5-amidino-3-(methylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CNC(=O)C1=CN(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C26H24N4O4/c1-29-25(31)22-14-30(23-10-7-15(24(27)28)11-20(22)23)13-16-5-3-4-6-18(16)19-9-8-17(34-2)12-21(19)26(32)33/h3-12,14H,13H2,1-2H3,(H3,27,28)(H,29,31)(H,32,33)