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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CN3CCC4=C3C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CN3CCC4=C3C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C28H30N4O3/c1-17(2)15-31-27(33)20-7-9-23(24(14-20)28(34)35)22-6-4-3-5-21(22)16-32-12-11-18-13-19(26(29)30)8-10-25(18)32/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H3,29,30)(H,31,33)(H,34,35)