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

Systemtic Name: (E)-3-[3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]prop-2-enoic acid CAS Name: (E)-3-[3-(1-imidazolylmethyl)-2-methyl-1-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]acrylic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C=CC(=O)O)CN3C=CN=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1/C=C/C(=O)O)CN3C=CN=C3

InChI

InChI=1S/C16H15N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-9,11H,10H2,1H3,(H,20,21)/b8-6+