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

Systemtic Name: propyl 4-[[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]benzoic acid propyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C

InChI

InChI=1S/C22H24N2O4/c1-4-11-28-22(26)17-7-9-18(10-8-17)23-21(25)20-13-15(2)24(16(20)3)14-19-6-5-12-27-19/h5-10,12-13H,4,11,14H2,1-3H3,(H,23,25)