(2-cyanophenyl)methyl 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (2-cyanophenyl)methyl 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (2-cyanophenyl)methyl 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (2-cyanobenzyl) ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c24-14-19-4-1-2-5-20(19)15-28-21(26)6-3-7-25-22(27)23-11-16-8-17(12-23)10-18(9-16)13-23/h1-2,4-5,16-18H,3,6-13,15H2,(H,25,27)