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

Systemtic Name: (2-cyanophenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (2-cyanophenyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (2-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=C4C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=CC=CC=C4C#N

InChI

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