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

Systemtic Name: 2-[5-aminocarbonyl-2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-carbamoyl-phenyl]benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-carbamoylphenyl]benzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-carbamoylphenyl]benzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-carbamoyl-phenyl]benzoic acid Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)N)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)N)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C24H22N4O3/c25-22(26)15-7-8-21-14(11-15)9-10-28(21)13-17-6-5-16(23(27)29)12-20(17)18-3-1-2-4-19(18)24(30)31/h1-8,11-12H,9-10,13H2,(H3,25,26)(H2,27,29)(H,30,31)