(5-ethanoyl-2-methoxy-phenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C24H22N2O4/c1-17(27)18-8-10-23(29-2)20(14-18)16-30-24(28)11-9-19-15-26(13-5-12-25)22-7-4-3-6-21(19)22/h3-4,6-11,14-15H,5,13,16H2,1-2H3/b11-9+