(E)-3-(6-methoxy-1,3-dimethyl-7-oxidanyl-2-phenyl-indol-4-yl)-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-(6-methoxy-1,3-dimethyl-7-oxidanyl-2-phenyl-indol-4-yl)-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(7-hydroxy-6-methoxy-1,3-dimethyl-2-phenyl-indol-4-yl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-(7-hydroxy-6-methoxy-1,3-dimethyl-2-phenyl-4-indolyl)-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(7-hydroxy-6-methoxy-1,3-dimethyl-2-phenylindol-4-yl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(7-hydroxy-6-methoxy-1,3-dimethyl-2-phenyl-indol-4-yl)-2-methyl-acrylic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=CC(=C2O)OC)C=C(C)C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N(C2=C1C(=CC(=C2O)OC)/C=C(\C)/C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-12(21(24)25)10-15-11-16(26-4)20(23)19-17(15)13(2)18(22(19)3)14-8-6-5-7-9-14/h5-11,23H,1-4H3,(H,24,25)/b12-10+