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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(3-oxidanylpropylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(3-hydroxypropylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(3-hydroxypropylamino)-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(3-hydroxypropylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(3-hydroxypropylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C28H30N4O5 MolecularWeight: 502.5616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O5/c1-37-21-6-7-22(24(15-21)28(35)36)23-14-19(27(34)31-10-2-12-33)3-4-20(23)16-32-11-9-17-13-18(26(29)30)5-8-25(17)32/h3-8,13-15,33H,2,9-12,16H2,1H3,(H3,29,30)(H,31,34)(H,35,36)