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

Systemtic Name: (4-cyanophenyl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (4-cyanophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (4-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=C(C=C4)C#N

Isomeric SMILES

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

InChI

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