(E)-3-[2-methyl-1-(4-phenethyloxyphenyl)carbonyl-indol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-methyl-1-(4-phenethyloxyphenyl)carbonyl-indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-methyl-1-(4-phenethyloxybenzoyl)indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[2-methyl-1-[oxo-(4-phenethyloxyphenyl)methyl]-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[2-methyl-1-(4-phenethyloxybenzoyl)indol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-methyl-1-(4-phenethyloxybenzoyl)indol-4-yl]acrylic acid Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)C=CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)/C=C/C(=O)O

InChI

InChI=1S/C27H23NO4/c1-19-18-24-21(12-15-26(29)30)8-5-9-25(24)28(19)27(31)22-10-13-23(14-11-22)32-17-16-20-6-3-2-4-7-20/h2-15,18H,16-17H2,1H3,(H,29,30)/b15-12+