2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-(carboxymethylcarbamoyl)phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-(carboxymethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-(carboxymethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-1-indolyl)methyl]-5-[(carboxymethylamino)-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-(carboxymethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindol-1-yl)methyl]-5-(carboxymethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C27H24N4O6 MolecularWeight: 500.50266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC(=O)O)CN3C=CC4=C3C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC(=O)O)CN3C=CC4=C3C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H24N4O6/c1-37-19-5-6-20(22(12-19)27(35)36)21-11-17(26(34)30-13-24(32)33)2-3-18(21)14-31-9-8-15-10-16(25(28)29)4-7-23(15)31/h2-12H,13-14H2,1H3,(H3,28,29)(H,30,34)(H,32,33)(H,35,36)