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

Systemtic Name: (E)-3-[3-(imidazol-1-ylmethyl)-2-methyl-1H-indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(imidazol-1-ylmethyl)-2-methyl-1H-indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-(1-imidazolylmethyl)-2-methyl-1H-indol-4-yl]-2-propenoic acid IUPAC Name: (E)-3-[3-(imidazol-1-ylmethyl)-2-methyl-1H-indol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(imidazol-1-ylmethyl)-2-methyl-1H-indol-4-yl]acrylic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c1-11-13(9-19-8-7-17-10-19)16-12(5-6-15(20)21)3-2-4-14(16)18-11/h2-8,10,18H,9H2,1H3,(H,20,21)/b6-5+