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

Systemtic Name: (E)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-[6-(tert-butoxycarbonylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylprop-2-enoic acid Traditional Name: (E)-3-[6-(tert-butoxycarbonylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-acrylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-21(2,3)28-20(27)24-17-10-9-15-14(12-22-18(15)23-17)11-16(19(25)26)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,25,26)(H2,22,23,24,27)/b16-11+