[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H20ClNO5/c1-13(21(26)16-12-24-18-6-3-2-5-15(16)18)29-20(25)11-14-9-17(23)22-19(10-14)27-7-4-8-28-22/h2-3,5-6,9-10,12-13,24H,4,7-8,11H2,1H3