methyl 4-[2,5-dimethyl-3-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[(E)-3-(8-quinolyl)prop-2-enoyl]oxyacetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[(E)-1-oxo-3-(8-quinolinyl)prop-2-enoxy]ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-[(E)-3-(8-quinolyl)acryloyl]oxyacetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C28H24N2O5 MolecularWeight: 468.50056

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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=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C28H24N2O5/c1-18-16-24(19(2)30(18)23-12-9-22(10-13-23)28(33)34-3)25(31)17-35-26(32)14-11-21-7-4-6-20-8-5-15-29-27(20)21/h4-16H,17H2,1-3H3/b14-11+