[4-(1-adamantyl)phenyl] 3-acetamidopropanoate

Systemtic Name: [4-(1-adamantyl)phenyl] 3-acetamidopropanoate Openeye Name: [4-(1-adamantyl)phenyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [4-(1-adamantyl)phenyl] ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)OC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NCCC(=O)OC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO3/c1-14(23)22-7-6-20(24)25-19-4-2-18(3-5-19)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-5,15-17H,6-13H2,1H3,(H,22,23)