(E)-3-[5-methoxy-1,3-dimethyl-2-(2-methylphenyl)-4-oxidanyl-indol-7-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[5-methoxy-1,3-dimethyl-2-(2-methylphenyl)-4-oxidanyl-indol-7-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-hydroxy-5-methoxy-1,3-dimethyl-2-(o-tolyl)indol-7-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-hydroxy-5-methoxy-1,3-dimethyl-2-(2-methylphenyl)-7-indolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-hydroxy-5-methoxy-1,3-dimethyl-2-(2-methylphenyl)indol-7-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-hydroxy-5-methoxy-1,3-dimethyl-2-(o-tolyl)indol-7-yl]-2-methyl-acrylic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C3=C(N2C)C(=CC(=C3O)OC)C=C(C)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C3=C(N2C)C(=CC(=C3O)OC)/C=C(\C)/C(=O)O)C

InChI

InChI=1S/C22H23NO4/c1-12-8-6-7-9-16(12)19-14(3)18-20(23(19)4)15(10-13(2)22(25)26)11-17(27-5)21(18)24/h6-11,24H,1-5H3,(H,25,26)/b13-10+