(E)-5-[3-(phenylcarbonyl)indol-1-yl]pent-2-enoic acid

Systemtic Name: (E)-5-[3-(phenylcarbonyl)indol-1-yl]pent-2-enoic acid Openeye Name: (E)-5-(3-benzoylindol-1-yl)pent-2-enoic acid CAS Name: (E)-5-(3-benzoyl-1-indolyl)-2-pentenoic acid IUPAC Name: (E)-5-(3-benzoylindol-1-yl)pent-2-enoic acid Traditional Name: (E)-5-(3-benzoylindol-1-yl)pent-2-enoic acid Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CCC=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CC/C=C/C(=O)O

InChI

InChI=1S/C20H17NO3/c22-19(23)12-6-7-13-21-14-17(16-10-4-5-11-18(16)21)20(24)15-8-2-1-3-9-15/h1-6,8-12,14H,7,13H2,(H,22,23)/b12-6+