(E)-3-(1,3-benzoxazol-2-yl)-4-(9-ethylcarbazol-3-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(9-ethylcarbazol-3-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(9-ethylcarbazol-3-yl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(9-ethyl-3-carbazolyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(9-ethylcarbazol-3-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(9-ethylcarbazol-3-yl)but-3-enoic acid Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C=C(CC(=O)O)C3=NC4=CC=CC=C4O3)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4O3)C5=CC=CC=C51

InChI

InChI=1S/C25H20N2O3/c1-2-27-21-9-5-3-7-18(21)19-14-16(11-12-22(19)27)13-17(15-24(28)29)25-26-20-8-4-6-10-23(20)30-25/h3-14H,2,15H2,1H3,(H,28,29)/b17-13+