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

Systemtic Name: (2-cyanophenyl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (2-cyanophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (2-cyanobenzyl) ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c23-13-18-3-1-2-4-19(18)14-27-20(25)5-6-24-21(26)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-4,15-17H,5-12,14H2,(H,24,26)