[4-(4-cyanophenyl)phenyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H28N2O3/c28-17-18-1-3-22(4-2-18)23-5-7-24(8-6-23)32-25(30)9-10-29-26(31)27-14-19-11-20(15-27)13-21(12-19)16-27/h1-8,19-21H,9-16H2,(H,29,31)