4-[3-[(E)-3-phenylprop-2-enoyl]indol-1-yl]butanoic acid

Systemtic Name: 4-[3-[(E)-3-phenylprop-2-enoyl]indol-1-yl]butanoic acid Openeye Name: 4-[3-[(E)-3-phenylprop-2-enoyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[(E)-1-oxo-3-phenylprop-2-enyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[(E)-3-phenylprop-2-enoyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[(E)-3-phenylacryloyl]indol-1-yl]butyric acid Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c23-20(13-12-16-7-2-1-3-8-16)18-15-22(14-6-11-21(24)25)19-10-5-4-9-17(18)19/h1-5,7-10,12-13,15H,6,11,14H2,(H,24,25)/b13-12+