[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoate CAS Name: 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoate Traditional Name: 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C25H23FN4O3 MolecularWeight: 446.473523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)CCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)CCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C25H23FN4O3/c26-19-8-10-22-21(16-19)20(25(29-22)18-6-2-1-3-7-18)9-11-24(32)33-17-23(31)30(14-4-12-27)15-5-13-28/h1-3,6-8,10,16,29H,4-5,9,11,14-15,17H2