(E)-3-[4-[(2-imidazol-1-yl-3-methyl-indol-1-yl)methyl]phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(2-imidazol-1-yl-3-methyl-indol-1-yl)methyl]phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-[(2-imidazol-1-yl-3-methyl-indol-1-yl)methyl]phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[2-(1-imidazolyl)-3-methyl-1-indolyl]methyl]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[(2-imidazol-1-yl-3-methylindol-1-yl)methyl]phenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[(2-imidazol-1-yl-3-methyl-indol-1-yl)methyl]phenyl]-2-methyl-acrylic acid Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)C=C(C)C(=O)O)N4C=CN=C4

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)/C=C(\C)/C(=O)O)N4C=CN=C4

InChI

InChI=1S/C23H21N3O2/c1-16(23(27)28)13-18-7-9-19(10-8-18)14-26-21-6-4-3-5-20(21)17(2)22(26)25-12-11-24-15-25/h3-13,15H,14H2,1-2H3,(H,27,28)/b16-13+