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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methyl-phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-4-methyl-phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methylphenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methylphenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-4-methyl-phenyl]-5-methoxy-benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)O)CN3CCC4=C3C=CC(=C4)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)O)CN3CCC4=C3C=CC(=C4)C(=N)N

InChI

InChI=1S/C25H25N3O3/c1-15-3-6-20(21-7-5-19(31-2)13-22(21)25(29)30)18(11-15)14-28-10-9-16-12-17(24(26)27)4-8-23(16)28/h3-8,11-13H,9-10,14H2,1-2H3,(H3,26,27)(H,29,30)