(E)-3-[6-[(3-aminophenyl)carbonylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-[6-[(3-aminophenyl)carbonylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-[6-[(3-aminobenzoyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-[6-[[(3-aminophenyl)-oxomethyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-[6-[(3-aminobenzoyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylprop-2-enoic acid Traditional Name: (E)-3-[6-[(3-aminobenzoyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-acrylic acid Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CNC3=C2C=CC(=N3)NC(=O)C4=CC(=CC=C4)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C2=CNC3=C2C=CC(=N3)NC(=O)C4=CC(=CC=C4)N)/C(=O)O

InChI

InChI=1S/C23H18N4O3/c24-17-8-4-7-15(11-17)22(28)27-20-10-9-18-16(13-25-21(18)26-20)12-19(23(29)30)14-5-2-1-3-6-14/h1-13H,24H2,(H,29,30)(H2,25,26,27,28)/b19-12+