2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-carboxyethylcarbamoyl)phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-carboxyethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(2-carboxyethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(2-carboxyethylamino)-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-carboxyethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(2-carboxyethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C28H28N4O6 MolecularWeight: 516.54512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCCC(=O)O)CN3CCC4=C3C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCCC(=O)O)CN3CCC4=C3C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C28H28N4O6/c1-38-20-5-6-21(23(14-20)28(36)37)22-13-18(27(35)31-10-8-25(33)34)2-3-19(22)15-32-11-9-16-12-17(26(29)30)4-7-24(16)32/h2-7,12-14H,8-11,15H2,1H3,(H3,29,30)(H,31,35)(H,33,34)(H,36,37)