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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(pyrimidin-2-ylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(pyrimidin-2-ylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[oxo-(2-pyrimidinylmethylamino)methyl]phenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(pyrimidin-2-ylmethylcarbamoyl)phenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(2-pyrimidylmethylcarbamoyl)phenyl]-5-methyl-benzoic acid Formula: C32H30N6O3 MolecularWeight: 546.619

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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=NC=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=NC=CC=N4)C5=C(C=C(C=C5)C)C(=O)O

InChI

InChI=1S/C32H30N6O3/c1-3-38-18-23(24-10-8-21(30(33)34)16-28(24)38)14-20-6-7-22(31(39)37-17-29-35-11-4-12-36-29)15-26(20)25-9-5-19(2)13-27(25)32(40)41/h4-13,15-16,18H,3,14,17H2,1-2H3,(H3,33,34)(H,37,39)(H,40,41)