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

Systemtic Name: (E)-3-(3-ethyl-5-methoxy-1-methyl-4-oxidanyl-2-phenyl-indol-7-yl)-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(3-ethyl-4-hydroxy-5-methoxy-1-methyl-2-phenyl-indol-7-yl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-(3-ethyl-4-hydroxy-5-methoxy-1-methyl-2-phenyl-7-indolyl)-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(3-ethyl-4-hydroxy-5-methoxy-1-methyl-2-phenylindol-7-yl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(3-ethyl-4-hydroxy-5-methoxy-1-methyl-2-phenyl-indol-7-yl)-2-methyl-acrylic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2=C1C(=C(C=C2C=C(C)C(=O)O)OC)O)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(N(C2=C1C(=C(C=C2/C=C(\C)/C(=O)O)OC)O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4/c1-5-16-18-20(23(3)19(16)14-9-7-6-8-10-14)15(11-13(2)22(25)26)12-17(27-4)21(18)24/h6-12,24H,5H2,1-4H3,(H,25,26)/b13-11+