[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(3-methylphenoxy)propanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(3-methylphenoxy)propanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] (2R)-2-(3-methylphenoxy)propanoate CAS Name: (2R)-2-(3-methylphenoxy)propanoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate Traditional Name: (2R)-2-(3-methylphenoxy)propionic 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:

CC1=CC(=CC=C1)OC(C)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

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