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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O3/c1-16-8-9-17(2)24(16)20-12-10-19(11-13-20)22(26)27-18(3)21(25)23-14-6-4-5-7-15-23/h8-13,18H,4-7,14-15H2,1-3H3