methyl 4-[[[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

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