4-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-3-(2-carboxy-4-methoxy-phenyl)benzoic acid

Systemtic Name: 4-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-3-(2-carboxy-4-methoxy-phenyl)benzoic acid Openeye Name: 4-[(5-carbamimidoylindolin-1-yl)methyl]-3-(2-carboxy-4-methoxy-phenyl)benzoic acid CAS Name: 4-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-3-(2-carboxy-4-methoxyphenyl)benzoic acid IUPAC Name: 4-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-3-(2-carboxy-4-methoxyphenyl)benzoic acid Traditional Name: 4-[(5-amidinoindolin-1-yl)methyl]-3-(2-carboxy-4-methoxy-phenyl)benzoic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H23N3O5/c1-33-18-5-6-19(21(12-18)25(31)32)20-11-16(24(29)30)2-3-17(20)13-28-9-8-14-10-15(23(26)27)4-7-22(14)28/h2-7,10-12H,8-9,13H2,1H3,(H3,26,27)(H,29,30)(H,31,32)