(3-cyanophenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (3-cyanophenyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (3-cyanobenzyl) ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H24N2O3/c22-11-14-2-1-3-15(4-14)13-26-19(24)12-23-20(25)21-8-16-5-17(9-21)7-18(6-16)10-21/h1-4,16-18H,5-10,12-13H2,(H,23,25)