[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H25NO4 MolecularWeight: 379.4489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25NO4/c1-16(23(26)24-12-6-2-3-7-13-24)28-21(25)14-18-15-27-20-11-10-17-8-4-5-9-19(17)22(18)20/h4-5,8-11,15-16H,2-3,6-7,12-14H2,1H3