quinolin-3-ylmethyl N-[1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(5-methoxy-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: quinolin-3-ylmethyl N-[1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(5-methoxy-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 3-quinolylmethyl N-[2-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-1-[(5-methoxy-1H-indol-3-yl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-3-(5-methoxy-1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid 3-quinolinylmethyl ester IUPAC Name: quinolin-3-ylmethyl N-[1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(5-methoxy-1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[(3-bromo-2-isoxazolin-5-yl)methylamino]-2-keto-1-[(5-methoxy-1H-indol-3-yl)methyl]ethyl]carbamic acid 3-quinolylmethyl ester Formula: C27H26BrN5O5 MolecularWeight: 580.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC(C(=O)NCC3CC(=NO3)Br)NC(=O)OCC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC(C(=O)NCC3CC(=NO3)Br)NC(=O)OCC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H26BrN5O5/c1-36-19-6-7-23-21(10-19)18(13-30-23)9-24(26(34)31-14-20-11-25(28)33-38-20)32-27(35)37-15-16-8-17-4-2-3-5-22(17)29-12-16/h2-8,10,12-13,20,24,30H,9,11,14-15H2,1H3,(H,31,34)(H,32,35)