[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(acetamidomethyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(acetamidomethyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27NO4/c1-14(24)23-12-15-2-4-19(5-3-15)21(26)27-13-20(25)22-9-16-6-17(10-22)8-18(7-16)11-22/h2-5,16-18H,6-13H2,1H3,(H,23,24)