ethyl 5-[2-(azepan-1-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(azepan-1-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(azepan-1-yl)-2-oxo-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(1-azepanyl)-1,2-dioxoethyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(azepan-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(azepan-1-yl)-2-keto-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H26N2O4/c1-3-28-22(27)17-15(2)23-19(18(17)16-11-7-6-8-12-16)20(25)21(26)24-13-9-4-5-10-14-24/h6-8,11-12,23H,3-5,9-10,13-14H2,1-2H3