2-[6-azanyl-2-[(5-carbamimidoylindol-1-yl)methyl]pyridin-3-yl]-4-methoxy-benzoic acid

Systemtic Name: 2-[6-azanyl-2-[(5-carbamimidoylindol-1-yl)methyl]pyridin-3-yl]-4-methoxy-benzoic acid Openeye Name: 2-[6-amino-2-[(5-carbamimidoylindol-1-yl)methyl]-3-pyridyl]-4-methoxy-benzoic acid CAS Name: 2-[6-amino-2-[(5-carbamimidoyl-1-indolyl)methyl]-3-pyridinyl]-4-methoxybenzoic acid IUPAC Name: 2-[6-amino-2-[(5-carbamimidoylindol-1-yl)methyl]pyridin-3-yl]-4-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindol-1-yl)methyl]-6-amino-3-pyridyl]-4-methoxy-benzoic acid Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O3/c1-31-15-3-4-17(23(29)30)18(11-15)16-5-7-21(24)27-19(16)12-28-9-8-13-10-14(22(25)26)2-6-20(13)28/h2-11H,12H2,1H3,(H2,24,27)(H3,25,26)(H,29,30)