[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C21H22N2O4/c1-14-6-7-15(2)23(14)18-10-8-17(9-11-18)21(25)27-16(3)20(24)22-13-19-5-4-12-26-19/h4-12,16H,13H2,1-3H3,(H,22,24)