2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(2-pyridylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[oxo-(2-pyridinylmethylamino)methyl]phenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(pyridin-2-ylmethylcarbamoyl)phenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(2-pyridylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid Formula: C33H31N5O3 MolecularWeight: 545.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)C5=C(C=C(C=C5)C)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)C5=C(C=C(C=C5)C)C(=O)O

InChI

InChI=1S/C33H31N5O3/c1-3-38-19-24(26-12-10-22(31(34)35)17-30(26)38)15-21-8-9-23(32(39)37-18-25-6-4-5-13-36-25)16-28(21)27-11-7-20(2)14-29(27)33(40)41/h4-14,16-17,19H,3,15,18H2,1-2H3,(H3,34,35)(H,37,39)(H,40,41)