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

Systemtic Name: (E)-2-phenyl-3-[6-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-(isopropylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid CAS Name: (E)-2-phenyl-3-[6-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propenoic acid IUPAC Name: (E)-2-phenyl-3-[6-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-(isopropylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-acrylic acid Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(C=C1)C(=CN2)C=C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)NC1=NC2=C(C=C1)C(=CN2)/C=C(\C3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C19H19N3O2/c1-12(2)21-17-9-8-15-14(11-20-18(15)22-17)10-16(19(23)24)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,24)(H2,20,21,22)/b16-10+