[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)N(CCC#N)C12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)N(CCC#N)C12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O4/c1-2-22(31-21-7-4-3-5-8-21)24(29)30-17-23(28)27(10-6-9-26)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-5,7-8,18-20,22H,2,6,10-17H2,1H3/t18?,19?,20?,22-,25?/m1/s1