(E)-3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]prop-2-enoic acid CAS Name: (E)-3-[3-phenethyl-1-(4-phenoxyphenyl)-5-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]acrylic acid Formula: C31H25NO3 MolecularWeight: 459.5351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN(C3=C2C=C(C=C3)C=CC(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN(C3=C2C=C(C=C3)/C=C/C(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H25NO3/c33-31(34)20-13-24-12-19-30-29(21-24)25(14-11-23-7-3-1-4-8-23)22-32(30)26-15-17-28(18-16-26)35-27-9-5-2-6-10-27/h1-10,12-13,15-22H,11,14H2,(H,33,34)/b20-13+