methyl 4-[2-[1,3-benzodioxol-5-ylcarbonyl(cyclohexylmethyl)amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[1,3-benzodioxol-5-ylcarbonyl(cyclohexylmethyl)amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[1,3-benzodioxole-5-carbonyl(cyclohexylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]-(cyclohexylmethyl)amino]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[1,3-benzodioxole-5-carbonyl(cyclohexylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[cyclohexylmethyl(piperonyloyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)CN(CC2CCCCC2)C(=O)C3=CC4=C(C=C3)OCO4)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)CN(CC2CCCCC2)C(=O)C3=CC4=C(C=C3)OCO4)C)C(=O)OC

InChI

InChI=1S/C25H30N2O6/c1-15-22(16(2)26-23(15)25(30)31-3)19(28)13-27(12-17-7-5-4-6-8-17)24(29)18-9-10-20-21(11-18)33-14-32-20/h9-11,17,26H,4-8,12-14H2,1-3H3