methyl 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]oxymethyl]benzoate CAS Name: 4-[[(E)-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]oxymethyl]benzoate Traditional Name: 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]oxymethyl]benzoic acid methyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4/c1-28-23(27)18-9-7-17(8-10-18)16-29-22(26)12-11-19-15-25(14-4-13-24)21-6-3-2-5-20(19)21/h2-3,5-12,15H,4,14,16H2,1H3/b12-11+