[4-(2-cyanophenyl)phenyl]methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [4-(2-cyanophenyl)benzyl] ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

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