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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indazol-3-yl)methyl]-5-(pyrimidin-2-ylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indazol-3-yl)methyl]-5-(pyrimidin-2-ylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indazolyl)methyl]-5-[oxo-(2-pyrimidinylmethylamino)methyl]phenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindazol-3-yl)methyl]-5-(pyrimidin-2-ylmethylcarbamoyl)phenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indazol-3-yl)methyl]-5-(2-pyrimidylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid Formula: C31H29N7O3 MolecularWeight: 547.60706

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=N)N)C(=N1)CC3=C(C=C(C=C3)C(=O)NCC4=NC=CC=N4)C5=C(C=C(C=C5)C)C(=O)O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=N)N)C(=N1)CC3=C(C=C(C=C3)C(=O)NCC4=NC=CC=N4)C5=C(C=C(C=C5)C)C(=O)O

InChI

InChI=1S/C31H29N7O3/c1-3-38-27-16-20(29(32)33)8-10-23(27)26(37-38)15-19-6-7-21(30(39)36-17-28-34-11-4-12-35-28)14-24(19)22-9-5-18(2)13-25(22)31(40)41/h4-14,16H,3,15,17H2,1-2H3,(H3,32,33)(H,36,39)(H,40,41)