methyl 4-[2,5-dimethyl-3-[2-[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxyethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxyethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxyacetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[(E)-1-oxo-3-(2-quinoxalinyl)prop-2-enoxy]ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxyacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-[(E)-3-quinoxalin-2-ylacryloyl]oxyacetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C27H23N3O5/c1-17-14-22(18(2)30(17)21-11-8-19(9-12-21)27(33)34-3)25(31)16-35-26(32)13-10-20-15-28-23-6-4-5-7-24(23)29-20/h4-15H,16H2,1-3H3/b13-10+