ethyl 4-aminocarbonyl-2-methyl-5-[2-[(E)-3-(2-methylphenyl)prop-2-enoyl]oxyethanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-[(E)-3-(2-methylphenyl)prop-2-enoyl]oxyethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[[2-[(E)-3-(o-tolyl)prop-2-enoyl]oxyacetyl]amino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[2-[(E)-3-(2-methylphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[[2-[(E)-3-(2-methylphenyl)prop-2-enoyl]oxyacetyl]amino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[[2-[(E)-3-(o-tolyl)acryloyl]oxyacetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)COC(=O)C=CC2=CC=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)COC(=O)/C=C/C2=CC=CC=C2C)C

InChI

InChI=1S/C21H22N2O7/c1-4-28-21(27)17-13(3)30-20(18(17)19(22)26)23-15(24)11-29-16(25)10-9-14-8-6-5-7-12(14)2/h5-10H,4,11H2,1-3H3,(H2,22,26)(H,23,24)/b10-9+