[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(furan-2-ylcarbonylamino)benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(furan-2-carbonylamino)benzoate CAS Name: 4-[[2-furanyl(oxo)methyl]amino]benzoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate Traditional Name: 4-(2-furoylamino)benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H22N2O5/c1-4-11-25-15(2)13-19(16(25)3)20(26)14-30-23(28)17-7-9-18(10-8-17)24-22(27)21-6-5-12-29-21/h4-10,12-13H,1,11,14H2,2-3H3,(H,24,27)