[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantyl)-2-bromanyl-ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantyl)-2-bromanyl-ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] (2S)-2-(1-adamantyl)-2-bromo-acetate CAS Name: (2S)-2-(1-adamantyl)-2-bromoacetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] (2S)-2-(1-adamantyl)-2-bromoacetate Traditional Name: (2S)-2-(1-adamantyl)-2-bromo-acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H26BrN3O3 MolecularWeight: 436.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)OCC(=O)N(CCC#N)CCC#N)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)Br

InChI

InChI=1S/C20H26BrN3O3/c21-18(20-10-14-7-15(11-20)9-16(8-14)12-20)19(26)27-13-17(25)24(5-1-3-22)6-2-4-23/h14-16,18H,1-2,5-13H2/t14?,15?,16?,18-,20?/m1/s1