(E)-8-(2-imidazol-1-yl-3-methyl-indol-1-yl)oct-2-enoic acid

Systemtic Name: (E)-8-(2-imidazol-1-yl-3-methyl-indol-1-yl)oct-2-enoic acid Openeye Name: (E)-8-(2-imidazol-1-yl-3-methyl-indol-1-yl)oct-2-enoic acid CAS Name: (E)-8-[2-(1-imidazolyl)-3-methyl-1-indolyl]-2-octenoic acid IUPAC Name: (E)-8-(2-imidazol-1-yl-3-methylindol-1-yl)oct-2-enoic acid Traditional Name: (E)-8-(2-imidazol-1-yl-3-methyl-indol-1-yl)oct-2-enoic acid Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CCCCCC=CC(=O)O)N3C=CN=C3

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CCCCC/C=C/C(=O)O)N3C=CN=C3

InChI

InChI=1S/C20H23N3O2/c1-16-17-9-6-7-10-18(17)23(20(16)22-14-12-21-15-22)13-8-4-2-3-5-11-19(24)25/h5-7,9-12,14-15H,2-4,8,13H2,1H3,(H,24,25)/b11-5+