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

Systemtic Name: (E)-3-(5-methoxy-1,3-dimethyl-4-oxidanyl-2-phenyl-indol-7-yl)-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(4-hydroxy-5-methoxy-1,3-dimethyl-2-phenyl-indol-7-yl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-(4-hydroxy-5-methoxy-1,3-dimethyl-2-phenyl-7-indolyl)-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(4-hydroxy-5-methoxy-1,3-dimethyl-2-phenylindol-7-yl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(4-hydroxy-5-methoxy-1,3-dimethyl-2-phenyl-indol-7-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(=C(C=C2C=C(C)C(=O)O)OC)O)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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