2-[2-[(5-carbamimidoylindol-1-yl)methyl]-4-(propylcarbamoyl)phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-4-(propylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-4-(propylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-1-indolyl)methyl]-4-[oxo(propylamino)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-4-(propylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindol-1-yl)methyl]-4-(propylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)O)CN3C=CC4=C3C=CC(=C4)C(=N)N

Isomeric SMILES

CCCNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)O)CN3C=CC4=C3C=CC(=C4)C(=N)N

InChI

InChI=1S/C28H28N4O4/c1-3-11-31-27(33)19-4-7-22(23-8-6-21(36-2)15-24(23)28(34)35)20(14-19)16-32-12-10-17-13-18(26(29)30)5-9-25(17)32/h4-10,12-15H,3,11,16H2,1-2H3,(H3,29,30)(H,31,33)(H,34,35)