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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(phenethylcarbamoyl)phenyl]benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(phenethylcarbamoyl)phenyl]benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[oxo-(phenethylamino)methyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(phenethylcarbamoyl)phenyl]benzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(phenethylcarbamoyl)phenyl]benzoic acid Formula: C32H30N4O3 MolecularWeight: 518.6056

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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)NCCC4=CC=CC=C4)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C32H30N4O3/c33-30(34)23-12-13-29-22(18-23)15-17-36(29)20-25-11-10-24(31(37)35-16-14-21-6-2-1-3-7-21)19-28(25)26-8-4-5-9-27(26)32(38)39/h1-13,18-19H,14-17,20H2,(H3,33,34)(H,35,37)(H,38,39)